| ID | Name | CAS | Data |
McVol (ml/mol) |
| 35-047-1 |
3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester
|
|
7 | 433.970 |
| 35-477-4 |
Benzene, (1,2-dichloro-1,2,2-trifluoroethyl)-3,5-bis-(trifluoromethyl)
|
|
7 | 168.410 |
| 35-550-2 |
endo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one
|
|
7 | 116.450 |
| 35-787-0 |
2,6-Pyridinedicarboxylic acid, 2-chloro-6-fluorophenyl hexyl ester
|
|
7 | 269.920 |
| 35-841-9 |
tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
|
17049-74-0 |
7 | 138.090 |
| 35-889-7 |
3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate)
|
101096-60-0 |
7 | 304.880 |
| 35-983-2 |
3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione
|
566-03-0 |
7 | 278.190 |
| 36-103-7 |
9(10H)-acridinone, 1,2,3,4-tetramethoxy-10-methyl-
|
|
7 | 241.130 |
| 36-129-9 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester
|
|
7 | 336.030 |
| 36-480-9 |
3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester
|
|
7 | 433.970 |
| 36-555-6 |
Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-
|
|
7 | 136.330 |
| 36-952-5 |
2,6-Difluoro-3-methylbenzamide, N-(3-chloro-4-fluorophenyl)-
|
|
7 | 189.700 |
| 36-955-2 |
Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-
|
28450-02-4 |
7 | 115.860 |
| 36-980-4 |
2,6,10,14-Tetramethyl-9-(3-methyl-pent-4-enyl)-pentadeca-2,6,10-triene
|
|
7 | 345.910 |
| 37-031-6 |
11,12,13-tri-nor-cis-Eudesm-5-en-7-one
|
|
7 | 155.490 |
| 37-123-4 |
trans-(2,3,3a,7a-Tetrahydro-1H-indene-4-carbaldehyde
|
|
7 | 123.010 |
| 37-236-9 |
phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
|
|
7 | 249.350 |
| 37-258-5 |
Exo-2-methyl-7-oxabi-cyclo[2.2.1]heptane
|
16325-23-8 |
7 | 93.640 |
| 37-327-8 |
Z-3-Chloro-2-methyl-prop-2-en-1-ol
|
|
7 | 81.030 |
| 37-432-1 |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
|
|
7 | 175.360 |
| 37-483-5 |
Benzoic acid, 2,5-dimethyl-, 2-(2-hydroxy-2-methylpropyl)-2-methylhydrazide
|
21629-71-0 |
7 | 211.760 |
| 37-673-4 |
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
|
5413-60-5 |
7 | 150.500 |
| 37-779-7 |
2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)heptyl octyl ester
|
|
7 | 370.080 |
| 37-824-6 |
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
|
19407-28-4 |
7 | 247.180 |
| 37-908-3 |
3-Methylbut-2-enoic acid, 4-methoxy-2-methylbutyl ester
|
|
7 | 174.860 |
| 37-986-7 |
3,4,6-Tri-O-acetyl-1,5-Anhydro-2-O-methyl-D-mannitol
|
|
7 | 217.230 |
| 38-051-3 |
2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate
|
|
7 | 227.760 |
| 38-055-9 |
Butanamide, N-(4-fluorophenyl)-2,2,3,3,4,4,4-heptafluoro-
|
|
7 | 153.710 |
| 38-203-4 |
1H-Indene, octahydro-2,2,4,4,7,7-hexamethyl-, trans-
|
54832-83-6 |
7 | 200.490 |
| 38-672-4 |
3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester
|
|
7 | 188.890 |
| 38-809-2 |
exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«beta»-ol, acetate
|
|
7 | 150.500 |
| 38-903-7 |
1,2,9-tribromo-3,7-dichloro-dibenzo-p-dioxin
|
|
7 | 210.280 |
| 38-919-0 |
Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1«alpha»,3«beta»,5«alpha»)]-
|
471-16-9 |
7 | 131.610 |
| 39-098-1 |
Tricyclo[4.2.0.02,5]octa-3,7-diene, (1«alpha»,2«alpha»,5«alpha»,6«alpha»)
|
20380-30-7 |
7 | 82.400 |
| 39-250-1 |
1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-
|
28231-03-0 |
7 | 191.200 |
| 39-263-7 |
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
|
5690-24-4 |
7 | 169.420 |
| 39-387-0 |
(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
|
88728-58-9 |
7 | 195.500 |
| 39-845-1 |
Pentacyclo[10.4.4.44,9.06,23.015,19]tetracosa-4,6,8,12,14,16,17,21,23-decaene
|
|
7 | 251.720 |
| 39-905-4 |
2,6-Pyridinedicarboxylic acid, isobutyl 2-(2-methoxyethyl)heptyl ester
|
|
7 | 313.720 |
| 39-953-1 |
3-Hydroxyestra-1,3,5(10)-triene-16,17-dione
|
|
7 | 217.150 |
| 39-961-2 |
17-«beta»-Hydroxy-17-«alpha»-methyl-5-«beta»-androstan-3-one
|
3275-58-9 |
7 | 256.660 |
| 40-268-0 |
Malonic acid, (alpha,alpha,alpha-trifluoro-m-toluidine)methylene-, diethyl ester
|
|
7 | 224.320 |
| 40-675-8 |
2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-
|
29597-36-2 |
7 | 184.640 |
| 40-921-4 |
Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester
|
|
7 | 412.870 |
| 41-320-0 |
Fumaric acid, monoamide, N,N-dimethyl-, 2,5-dichlorophenyl ester
|
|
7 | 195.350 |
| 41-500-0 |
17-«beta»-Methyl-5-«beta»-androstan-3-«alpha»,17-«alpha»-diol
|
|
7 | 260.960 |
| 41-604-5 |
2,6-Pyridinedicarboxylic acid, hexyl 1-methoxydec-4-yl ester
|
|
7 | 355.990 |
| 41-727-9 |
17-«alpha»-Hydroxy-17-«beta»-methyl-5-«beta»-androstan-3-one
|
|
7 | 256.660 |
| 41-739-6 |
[2-[(2,2,2-Trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroacetate
|
|
7 | 157.610 |
| 42-025-7 |
4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated
|
|
7 | 220.950 |
| 42-091-4 |
2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis
|
|
7 | 115.860 |
| 42-450-5 |
2-Methyl-3-methylene-bicyclo[2.2.1]heptane, cis
|
|
7 | 111.650 |
| 42-513-5 |
Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-
|
17672-96-7 |
7 | 137.480 |
| 42-895-2 |
Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-
|
523-47-7 |
7 | 191.890 |
| 42-914-0 |
D-(tetrahydro-2,3,4-trihydroxy-5-oxofuran-2-yl)glycollic acid
|
389-36-6 |
7 | 117.030 |
| 43-090-4 |
2,6-Pyridinedicarboxylic acid, decyl 2-methylhex-3-yl ester
|
|
7 | 350.120 |
| 43-292-0 |
Androstane-3,17-diol, (3«beta»,5«alpha»,17«beta»)-
|
571-20-0 |
7 | 246.870 |
| 43-313-6 |
(1S,5S)-4-Methylene-1-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane
|
58319-04-3 |
7 | 191.890 |
| 43-379-4 |
cis-(2,3,3a,7a-Tetrahydro-1H-indene-4-carbaldehyde
|
|
7 | 123.010 |
| 43-565-7 |
2,6-Pyridinedicarboxylic acid, ethyl 3-(2-methoxyethyl)heptyl ester
|
|
7 | 285.540 |
| 43-598-1 |
2,6-Pyridinedicarboxylic acid, heptyl 2,4,4-trimethylpentyl ester
|
|
7 | 321.940 |
| 43-658-4 |
3,9-dibromo-1,2,6,7-tetrachloro-dibenzo-p-dioxin
|
|
7 | 217.260 |
| 43-677-3 |
Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester
|
2303-16-4 |
7 | 199.840 |
| 43-809-6 |
Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-
|
2616-70-8 |
7 | 433.970 |
| 43-886-1 |
2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl tetradecyl ester
|
|
7 | 412.350 |
| 43-902-2 |
Valeric acid, 4-hydroxy-2,2,4-trimethyl, gamma-lactone
|
4237-83-6 |
7 | 120.160 |
| 43-997-8 |
Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
|
|
7 | 283.920 |
| 44-217-2 |
Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1R)-
|
13854-85-8 |
7 | 131.610 |
| 44-324-3 |
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-
|
481-07-2 |
7 | 190.040 |
| 44-378-4 |
Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate
|
|
7 | 334.550 |
| 44-447-7 |
2,6-Pyridinedicarboxylic acid, pentadecyl 2,4,4-trimethylpentyl ester
|
|
7 | 434.660 |
| 44-507-0 |
2-[(2,2,3-Trichloropropanoyl)oxy]ethyl 2,2,3-trichloropropanoate
|
|
7 | 211.900 |
| 44-538-6 |
Anti-tricyclo[6.2.0.03,6]decane-2,7-dione
|
87305-42-8 |
7 | 122.320 |
| 44-686-2 |
3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
|
|
7 | 179.550 |
| 44-725-8 |
5,7-Dihydroxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-
|
|
7 | 231.150 |
| 44-936-4 |
2,6-Pyridinedicarboxylic acid, 2-ethylbutyl 2-methylhex-3-yl ester
|
|
7 | 293.760 |
| 44-949-0 |
4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
|
|
7 | 228.880 |
| 44-973-3 |
endo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-«alpha»-ol, acetate
|
|
7 | 150.500 |
| 45-063-2 |
endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one
|
|
7 | 116.450 |
| 45-139-8 |
1,3-Oxathiane, 2,4,6-trimethyl-, (2«alpha»,4«alpha»,6«beta»)-
|
22425-91-8 |
7 | 120.850 |
| 45-252-2 |
Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,7«alpha»,8a«beta»)]-
|
3691-11-0 |
7 | 191.890 |
| 45-277-5 |
Succinic acid, 2-isopropoxyphenyl N,N-diethyl-2-aminoethyl ester
|
|
7 | 285.540 |
| 45-281-0 |
2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl pentyl ester
|
|
7 | 355.990 |
| 45-642-9 |
Benzene, 1,3,5-trimethyl-2-(2-chloro-1-methylethyl)
|
|
7 | 168.420 |
| 45-775-2 |
(-)-3-Menthoxyacetoxy-(+)-estra-1,3,5(10),6,8-pentaen-17-one
|
|
7 | 372.640 |
| 46-186-5 |
3,8-Methanocyclobuta[b]naphthalene,2a,3,8,8a-tetrahydro-(2a«alpha»,3«alpha»,8«alpha»,8a«alpha»)-
|
54443-68-4 |
7 | 133.390 |
| 46-198-2 |
exo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-«alpha»-ol, acetate
|
|
7 | 150.500 |
| 46-223-3 |
24-Ethyl-5-«alpha»-cholest-7,24(Z)-dien-3-«beta»-ol
|
|
7 | 373.300 |
| 46-250-3 |
2-Methylpropanoic acid, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester
|
|
7 | 193.250 |
| 46-523-0 |
1,3-Oxathiane, 2,4,6-trimethyl-, (2«alpha»,4«alpha»,6«alpha»)-
|
22521-88-6 |
7 | 120.850 |
| 46-558-2 |
Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester
|
|
7 | 230.150 |
| 46-579-9 |
exo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-«beta»-ol, acetate
|
|
7 | 150.500 |
| 46-730-0 |
4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (-COOH N-acetyl), methyl
|
|
7 | 215.090 |
| 46-837-2 |
(R)-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone
|
|
7 | 141.400 |
| 46-960-5 |
2,6-Pyridinedicarboxylic acid, hexyl 3-(2-methoxyethyl)nonyl ester
|
|
7 | 370.080 |
| 47-189-1 |
2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl nonyl ester
|
|
7 | 398.260 |
| 47-239-5 |
3,4-Dimethylenebicyclo[4.2.0]octa-1,5-diene
|
|
7 | 112.840 |
| 47-370-9 |
1,4-Dioxepane-2-carboxylic acid, 3-phenyl, ethyl ester, trans
|
|
7 | 192.680 |
| 47-482-5 |
Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester
|
|
7 | 245.810 |
| 47-483-4 |
trans-Anthracene, 1,2,3,4-tetrahydro-1,2-diol
|
|
7 | 165.780 |
|
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