For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Acetic acid, 2-[[5-(2-chlorophenyl)-4-pyrimidinyl]thio]-
SpectraBase Compound ID 7Ep2rbQfz1z
InChI InChI=1S/C12H9ClN2O2S/c13-10-4-2-1-3-8(10)9-5-14-7-15-12(9)18-6-11(16)17/h1-5,7H,6H2,(H,16,17)
InChIKey CPCLAEMNYFIRFM-UHFFFAOYSA-N
Mol Weight 280.73 g/mol
Molecular Formula C12H9ClN2O2S
Exact Mass 280.007326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4e5CO5u6jRx
Name Acetic acid, 2-[[5-(2-chlorophenyl)-4-pyrimidinyl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN2O2S
InChI InChI=1S/C12H9ClN2O2S/c13-10-4-2-1-3-8(10)9-5-14-7-15-12(9)18-6-11(16)17/h1-5,7H,6H2,(H,16,17)
InChIKey CPCLAEMNYFIRFM-UHFFFAOYSA-N
Molecular Weight 280.729 g/mol
SMILES OC(CSc1c(-c2c(Cl)cccc2)cncn1)=O
SPLASH splash10-0udi-2980000000-346038a05c5fb230dbf2
Synonyms 2-[5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid 2-[5-(2-chlorophenyl)pyrimidin-4-yl]sulfanylethanoic acid 2-[[5-(2-chlorophenyl)-4-pyrimidinyl]thio]acetic acid 2-[[5-(2-chlorophenyl)pyrimidin-4-yl]thio]acetic acid
Wiley ID 1450181