| ID | Name | CAS | Data |
McVol (ml/mol) |
| 60-925-8 |
2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl propyl ester
|
|
3 | 257.360 |
| 60-927-6 |
Pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 4-methyl-2-(2-methylpropyl)
|
|
3 | 186.810 |
| 60-952-8 |
1-[3,4-methylenedioxy-benzyl]piperazine -M, (desmethylen-methyl-), 2AC
|
|
3 | 236.520 |
| 61-249-8 |
5H-Dibenz[c,e]azepine, 6,7-dihydro-6-(2-propenyl)-
|
146-36-1 |
3 | 197.690 |
| 61-408-1 |
Isonipecotic acid, N-(2,6-difluoro-3-methylbenzoyl)-, propyl ester
|
|
3 | 238.300 |
| 61-685-4 |
3,9-Diazaoctacyclo[9.3.22,10.0.03,9.04,8.05,15.07,16]tetradecane
|
|
3 | 152.060 |
| 61-842-9 |
5-Ethyl-5-methyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 135.820 |
| 62-379-3 |
N-tert-Butyl-N-trifluoroacetyl-N'-trifluoroacetyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
|
|
3 | 267.600 |
| 62-390-0 |
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-
|
13849-08-6 |
3 | 177.520 |
| 62-445-9 |
O-(2-Chloroethyl)-O-(1,1-difluoro-2-chloroethyl)-phosphorothiochloridate
|
|
3 | 156.030 |
| 62-451-2 |
6,7,8,9,10,11-Hexahydro-5,11a-diaza -cycloocta[b]naphthalen-12-one
|
|
3 | 179.870 |
| 62-526-9 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 2-methyl
|
|
3 | 128.880 |
| 62-903-0 |
1,5,6-Triazabicyclo[3.1.0]hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
|
95388-86-6 |
3 | 147.730 |
| 62-967-0 |
2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
|
3 | 137.600 |
| 63-024-5 |
Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester
|
38260-54-7 |
3 | 208.250 |
| 63-058-8 |
4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta»
|
38463-60-4 |
3 | 202.250 |
| 63-239-7 |
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-
|
16067-45-1 |
3 | 179.560 |
| 63-461-0 |
Benzofuran-2,3-dione, 2-[O-(2-acetoxyethyl)oxime], 3-(O-methyloxime), isomer 1
|
|
3 | 195.820 |
| 63-550-1 |
[7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate
|
|
3 | 195.910 |
| 63-753-6 |
1,3-Propanediol, 2,2-dimethyl-, cyclic 2,2-dichloro-vinyl phosphonate
|
116402-11-0 |
3 | 162.750 |
| 64-017-2 |
10-Methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
|
|
3 | 179.870 |
| 64-074-9 |
2-Pyridinecarbamic acid, 5,6-diamino-4-[(diphenylmethyl)amino]-, ethyl ester
|
38359-68-1 |
3 | 292.810 |
| 64-078-5 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, tridecyl ester
|
|
3 | 400.370 |
| 64-153-1 |
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-
|
60367-00-2 |
3 | 332.710 |
| 64-263-9 |
1«beta»,2«beta»-Epoxy-7-hydroxy-1«alpha»-methoxymethyl-8«alpha»-pyrrolizidine
|
|
3 | 132.680 |
| 64-652-7 |
N-tert-Butyl-6-methoxy-1,3,5-triazine-2,4-diamine
|
30125-64-5 |
3 | 155.590 |
| 64-868-8 |
2-((E)-[((e)-2-([(e)-(2-hydroxyphenyl)methylidene]amino)-1-methylethyl)imino]methyl)phenol
|
|
3 | 225.970 |
| 64-888-6 |
5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(pentafluoropropionyl)-
|
|
3 | 289.960 |
| 64-989-4 |
1,3,5-triazine-2,4,6(1H,3H,5H)-trione trihydrazone
|
10105-42-7 |
3 | 119.190 |
| 65-071-1 |
6-isopropyl-4-methyl-7,8-dihydro-6H-naphtho[1,8-bc]furan (acorafuran)
|
|
3 | 178.300 |
| 65-189-1 |
11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 9-methyl
|
|
3 | 165.780 |
| 65-194-5 |
2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl
|
|
3 | 170.270 |
| 65-262-9 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl
|
|
3 | 124.960 |
| 65-352-9 |
1,2,3,4,5,6-hexahydro-(7H)-cyclopentapyridine-7-one
|
|
3 | 113.410 |
| 65-385-3 |
(Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2
|
|
3 | 387.710 |
| 65-405-0 |
2,5-Diethyl-5-methyl-4-propionyl-1,3,4-oxadiazoline
|
|
3 | 164.000 |
| 66-067-5 |
1,2,3,4,5,7,8,9,10,11-Decahydro-5a,12-diaza-benzo[1,2;4,5]dicyclohepten-6-one
|
|
3 | 188.470 |
| 66-183-6 |
Isomer of 1«beta»,2«beta»-Epoxy-1«alpha»-hydroxymethyl-8«alpha»-pyrrolizidine
|
|
3 | 112.720 |
| 66-377-1 |
1,3,4-Thiadiazole-2(3H)-thione, 3,5-dimethyl-
|
|
3 | 100.420 |
| 66-759-7 |
Methylthiophosphonic acid, O-isobutyl, S-2-(2-(diethylaminoethylthio)ethyl) ester
|
|
3 | 268.910 |
| 66-948-7 |
1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole
|
|
3 | 205.230 |
| 67-311-2 |
1,2,3,5,6,7,8,9-Octahydro-3a,10-diaza-cyclohepta[f]inden-4-one
|
|
3 | 160.290 |
| 67-584-0 |
Methylthiophosphonic acid, O-ethyl, S-(8-diisopropylamino)-1,3,6-trithiaoctyl ester
|
|
3 | 315.700 |
| 68-191-5 |
O-(2-Bromo-1,1-difluoroethyl)-N-(1-methylpropyl)amidoethanethionophosphonate
|
|
3 | 197.280 |
| 68-259-0 |
5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine, N,N'-bis(heptafluorobutyryl)-
|
|
3 | 325.220 |
| 68-497-6 |
Phosphonothioic acid, methyl-, S-(2-(diethylamino)ethyl) O-ethyl ester
|
21770-86-5 |
3 | 196.200 |
| 68-700-9 |
3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, methyl ester
|
|
3 | 135.630 |
| 68-737-9 |
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
|
|
3 | 174.380 |
| 68-764-9 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, isobutyl ester
|
|
3 | 273.560 |
| 68-918-8 |
Benzenaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt
|
|
3 | 129.760 |
| 69-466-9 |
5-(2-Hydroxypropionyl)-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 167.040 |
| 69-573-0 |
4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6,7,7-pentamethyl
|
|
3 | 167.230 |
| 69-579-4 |
5-Methyl-2H-pyrazole-3-carboxylic acid, 1-methyl-2,2-pentamethylene hydrazide
|
|
3 | 177.020 |
| 70-273-1 |
(E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1
|
|
3 | 387.710 |
| 70-301-9 |
(E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2
|
|
3 | 387.710 |
| 70-567-5 |
2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer II
|
|
3 | 224.780 |
| 71-206-4 |
1,3,5,2,4,6-Triazatriphosphorine, 2,4,6-tribromo-2,4,6-trichloro-2,2,4,4,6,6-hexahydro-
|
|
3 | 180.540 |
| 71-280-2 |
1,3,5,2,4,6-Triazatriphosphorine, 2,4-dibromo-2,4,6,6-tetrachloro-2,2,4,4,6,6-hexahydro-
|
15964-99-5 |
3 | 175.280 |
| 71-321-6 |
Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-
|
303-33-3 |
3 | 245.310 |
| 71-686-2 |
1-((1R,2R,3R)-2-(3-Isopropylfuran-2-yl)-3-methylcyclopentyl)ethanone
|
1143-45-9 |
3 | 199.330 |
| 72-107-3 |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, dodecyl ester
|
|
3 | 386.280 |
| 72-308-0 |
Pyrido[3,4-b]pyrazine-5,7-dicarbamic acid, 2,3-diphenyl-, diethyl ester
|
16335-96-9 |
3 | 337.150 |
| 72-406-1 |
Tribenzo[a,e,i]cyclododecene,5,6,11,12,17,18-hexadehydro-
|
5385-26-2 |
3 | 241.080 |
| 72-487-2 |
(S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate
|
116988-91-1 |
3 | 300.820 |
| 73-562-7 |
L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester
|
19716-78-0 |
3 | 458.260 |
| 74-680-5 |
Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, 2,2,2-trichloroethyl ester
|
|
3 | 281.470 |
| 75-112-4 |
{P-[bis(2-hydroxyethyl)amino]benzyl}phosphonic acid, diethyl ester
|
16834-57-4 |
3 | 258.240 |
| 75-235-8 |
3,5,8a-Trimethyl-4,6,8a,9-tetrahydronaphtho[2,3-b]furan
|
631868-96-7 |
3 | 178.300 |
| 75-346-5 |
1,3,5-Triazine, hexahydro-1,3,5-tris(1-methylethyl)-
|
10556-98-6 |
3 | 199.020 |
| 75-943-2 |
5-(Furan-3-yl)-2-methylpent-1-en-3-ol
|
72075-28-6 |
3 | 139.740 |
| 76-061-0 |
Naphtho[1,8',8:c,d]cycloundeca-1,5-diyne
|
|
3 | 193.200 |
| 76-821-6 |
Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-
|
466-75-1 |
3 | 212.350 |
| 77-200-4 |
11-Methyl-11-azatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene
|
|
3 | 130.350 |
| 77-614-5 |
Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro-
|
36398-39-7 |
3 | 217.080 |
| 77-675-8 |
Methanamine, 1,1,1-trifluoro-N-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-
|
|
3 | 88.830 |
| 77-836-9 |
4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide
|
1005-93-2 |
3 | 117.620 |
| 77-860-2 |
1,3-Cyclohexadien-5-yne, 1,2,3,4-tetrachloro-
|
13280-72-3 |
3 | 116.300 |
| 78-004-1 |
(E)-3,4-Dimethyl-2-(prop-1-en-1-yldisulfanyl)thiophene
|
153001-05-9 |
3 | 162.960 |
| 78-206-7 |
Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative
|
|
3 | 341.840 |
| 78-329-1 |
Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne
|
87842-94-2 |
3 | 207.290 |
| 78-505-5 |
1-(8-Bromo-dibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminopropane, N-methyl
|
|
3 | 193.260 |
| 78-849-4 |
1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
|
|
3 | 153.570 |
| 79-080-6 |
5-Acetyl-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 147.080 |
| 79-316-4 |
Methylthiophosphonic acid, O-isobutyl, S-(2-(2-(2-diethylaminoethylthio)ethylthio)ethylthio
|
|
3 | 313.440 |
| 79-392-0 |
(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho[2,1-b]furan
|
59462-26-9 |
3 | 178.300 |
| 79-796-2 |
N''-(4-iodo-phenyl)-N,N,N',N'-tetramethyl -guanidine
|
|
3 | 193.550 |
| 80-033-6 |
2-n-Propyl-1,2,3,4-tetrahydro-1-methylquinoline
|
|
3 | 169.390 |
| 80-301-8 |
Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, octyl ester
|
|
3 | 312.150 |
| 80-302-7 |
1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, decyl ester
|
|
3 | 312.150 |
| 80-304-5 |
1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, decyl ester
|
|
3 | 312.150 |
| 80-450-3 |
2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one
|
2174-59-6 |
3 | 272.640 |
| 81-101-9 |
1H-Pyrazole, 3-ethyl-4,5-dihydro-1,4-dimethyl-
|
75011-91-5 |
3 | 114.290 |
| 81-127-1 |
2-(2-resp-3-methyl-1-pyrrolyl)ethan-l-ol
|
|
3 | 105.880 |
| 81-315-2 |
2H-PYRAN-2-ONE, 3-ACETYL-4-HYDROXY-6-METHYL-
|
|
3 | 119.000 |
| 81-535-8 |
Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptadecyl ester
|
|
3 | 438.960 |
| 81-638-4 |
2-(N,n-di-n-hexylamino)-3-(n-heptyl)pyrazine
|
|
3 | 341.110 |
| 81-774-3 |
Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-
|
568-73-0 |
3 | 199.950 |
| 82-096-5 |
Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4-tetrahydro-4,4,8-trimethyl-
|
20958-15-0 |
3 | 222.640 |
| 82-136-0 |
(S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano(3,2-g)chromen-7-yl 3-methyl-2-butenoate
|
|
3 | 245.240 |
| 82-432-1 |
1-(8-Bromo-dibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminopropane, N-methyl, TFA
|
|
3 | 228.320 |
|
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