Mixture of cefuroxime acid + Acetonitrile

cefuroxime acid

Name
cefuroxime acid
InChI
InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
InChI Key
JFPVXVDWJQMJEE-IZRZKJBUSA-N
Formula
C16H16N4O8S
SMILES
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1
Mol. Weight (g/mol)
424.39

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8
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Datasets

  1. Mole fraction

Mole fraction of cefuroxime acid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of cefuroxime acid (1) - Liquid
278.15 0.0002
283.15 0.0002
288.15 0.0002
293.15 0.0002
298.15 0.0003
303.15 0.0003
308.15 0.0003
313.15 0.0003

Sources