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5-cyano-1,6-dihydro-4-(p-methoxyphenyl)-2-methyl-6-thioxonicotinic acid, ethyl ester

View entire compound with spectra: 2 NMR, and 2 FTIR

5-cyano-1,6-dihydro-4-(p-methoxyphenyl)-2-methyl-6-thioxonicotinic acid, ethyl ester
SpectraBase Compound ID 1UFKTcNnsSP
InChI InChI=1S/C17H16N2O3S/c1-4-22-17(20)14-10(2)19-16(23)13(9-18)15(14)11-5-7-12(21-3)8-6-11/h5-8H,4H2,1-3H3,(H,19,23)
InChIKey WOCPPSYICQAHAN-UHFFFAOYSA-N
Mol Weight 328.39 g/mol
Molecular Formula C17H16N2O3S
Exact Mass 328.088164 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2W3EvZTBRzF
Name 5-CYANO-6-MERCAPTO-4-(p-METHOXYPHENYL)-2-METHYLNICOTINIC ACID, ETHYL ESTER
Source of Sample G. H. Elgemeie, Cairo University (Bani Suef Branch), Bani Suef, Egypt
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c1-4-22-17(20)14-10(2)19-16(23)13(9-18)15(14)11-5-7-12(21-3)8-6-11/h5-8H,4H2,1-3H3,(H,19,23)
InChIKey WOCPPSYICQAHAN-UHFFFAOYSA-N
Literature Reference BULL. CHEM. SOC. JAPAN 61, 4431(1988)
Melting Point 193-195C
Molecular Weight 328.385986
Synonyms NICOTINIC ACID, 5-CYANO-6-MERCAPTO- 4-/P-METHOXYPHENYL/-2-METHYL-, ETHYL ESTER
Technique KBr WAFER