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

*Links on SpectraBase are not permalinks.
4-Pyridinecarboxylic acid, 3-hydroxy-2-methyl-6-(phenylthio)-
SpectraBase Compound ID 6iKmDRYMFl6
InChI InChI=1S/C13H11NO3S/c1-8-12(15)10(13(16)17)7-11(14-8)18-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,16,17)
InChIKey RGIPLQHVLCIKOF-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 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 H4TS7wYY3p
Name 4-Pyridinecarboxylic acid, 3-hydroxy-2-methyl-6-(phenylthio)-
CAS Registry Number 91420-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c1-8-12(15)10(13(16)17)7-11(14-8)18-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,16,17)
InChIKey RGIPLQHVLCIKOF-UHFFFAOYSA-N
Molecular Weight 261.295 g/mol
SMILES Oc1c(C(=O)O)cc(nc1C)Sc1ccccc1
SPLASH splash10-01ox-0190000000-d720c0cf58e8d5e38835
Source of Spectrum SB-37-909-0
Synonyms 2-Methyl-3-hydroxy-4-carboxy-6-phenylthiopyridine 3-Hydroxy-2-methyl-6-(phenylsulfanyl)isonicotinic acid 3-Hydroxy-2-methyl-6-(phenylthio)-4-pyridinecarboxylic acid 3-Hydroxy-2-methyl-6-phenylsulfanylpyridine-4-carboxylic acid 3-Hydroxy-2-methyl-6-phenylsulfanyl-pyridine-4-carboxylic acid 2-Methyl-3-oxidanyl-6-phenylsulfanyl-pyridine-4-carboxylic acid
Wiley ID 1264620