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

*Links on SpectraBase are not permalinks.
1-Benzoyl-5-cyano-6-mercapto-2-oxo-4-phenyl-1,2-dihydro-pyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 7NkwlOb3XeL
InChI InChI=1S/C22H16N2O4S/c1-2-28-22(27)18-17(14-9-5-3-6-10-14)16(13-23)21(29)24(20(18)26)19(25)15-11-7-4-8-12-15/h3-12,29H,2H2,1H3
InChIKey KLWFPGNWLDHIKR-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C22H16N2O4S
Exact Mass 404.083078 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 Dc23wLzdKPl
Name 1-Benzoyl-5-cyano-6-mercapto-2-oxo-4-phenyl-1,2-dihydro-pyridine-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 1-benzoyl-5-cyano-1,2-dihydro-6-mercapto-2-oxo-4-phenyl-6-sulfonylpyridine-3-carboxylate Ethyl 1-benzoyl-5-cyano-2-oxo-4-phenyl-6-sulfanyl-1,2-dihydro-3-pyridinecarboxylate Ethyl 1-benzoyl-6-cyano-1,2-dihydro-6-mercapto-2-oxo-4-phenyl-6-sulfonylpyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N2O4S
InChI InChI=1S/C22H16N2O4S/c1-2-28-22(27)18-17(14-9-5-3-6-10-14)16(13-23)21(29)24(20(18)26)19(25)15-11-7-4-8-12-15/h3-12,29H,2H2,1H3
InChIKey KLWFPGNWLDHIKR-UHFFFAOYSA-N
Molecular Weight 404.440 g/mol
SMILES SC1=C(C#N)C(=C(C(N1C(=O)c1ccccc1)=O)C(=O)OCC)c1ccccc1
SPLASH splash10-0udj-0079200000-922ca96bb8b20fb75dd2
Source of Spectrum AH-130-666-9
Wiley ID 770602