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Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID Jdh6uE3x7o9
InChI InChI=1S/C16H13ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7H,3H2,1-2H3,(H,19,22)
InChIKey NPAWEFBSTWSMNE-UHFFFAOYSA-N
Mol Weight 332.81 g/mol
Molecular Formula C16H13ClN2O2S
Exact Mass 332.038627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 131hPlM4SAR
Name Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
CAS Registry Number 97651-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O2S
InChI InChI=1S/C16H13ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7H,3H2,1-2H3,(H,19,22)
InChIKey NPAWEFBSTWSMNE-UHFFFAOYSA-N
Molecular Weight 332.805 g/mol
SMILES N1C(C(=C(C(=C1C)C(OCC)=O)c1ccc(cc1)Cl)C#N)=S
SPLASH splash10-001i-4589000000-c336d588788cc3dd1e08
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-Chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester 4-(4-Chlorophenyl)-5-cyano-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid ethyl ester Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1H-pyridine-3-carboxylate Pyridine-3-carboxylic acid, 1,6-dihydro-4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-, ethyl ester
Wiley ID 1426662