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

*Links on SpectraBase are not permalinks.
2-[3-Cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetic acid
SpectraBase Compound ID CARU9HhZrTk
InChI InChI=1S/C22H18N2O4S/c1-27-16-7-3-14(4-8-16)18-11-20(15-5-9-17(28-2)10-6-15)24-22(19(18)12-23)29-13-21(25)26/h3-11H,13H2,1-2H3,(H,25,26)
InChIKey LFDKCBKXTWMOPN-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C22H18N2O4S
Exact Mass 406.098728 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 2gNz2yCt7mw
Name 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N2O4S
InChI InChI=1S/C22H18N2O4S/c1-27-16-7-3-14(4-8-16)18-11-20(15-5-9-17(28-2)10-6-15)24-22(19(18)12-23)29-13-21(25)26/h3-11H,13H2,1-2H3,(H,25,26)
InChIKey LFDKCBKXTWMOPN-UHFFFAOYSA-N
Molecular Weight 406.456 g/mol
SMILES OC(CSc1c(c(cc(-c2ccc(cc2)OC)n1)-c1ccc(cc1)OC)C#N)=O
SPLASH splash10-03di-6729000000-8af352399a507957ab9e
Synonyms 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoic acid 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetic acid 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetic acid
Wiley ID 1459723