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Methyl 4-cyano-5-(methylsulfanyl)-3-phenyl-2-thiophenecarboxylate
SpectraBase Compound ID HjMaYDkiPTb
InChI InChI=1S/C14H11NO2S2/c1-17-13(16)12-11(9-6-4-3-5-7-9)10(8-15)14(18-2)19-12/h3-7H,1-2H3
InChIKey PLYHDVHOJMQTAQ-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C14H11NO2S2
Exact Mass 289.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIlY32Enezi
Name Methyl 4-cyano-5-(methylsulfanyl)-3-phenyl-2-thiophenecarboxylate
Alternate Name(s) 4-cyano-5-(methylthio)-3-phenyl-2-thiophenecarboxylic acid methyl ester 4-cyano-5-(methylthio)-3-phenyl-thiophene-2-carboxylic acid methyl ester Methyl 4-cyano-5-methylsulfanyl-3-phenyl-thiophene-2-carboxylate Thiophene-2-carboxylic acid, 4-cyano-5-methylthio-3-phenyl-, methyl ester
CAS Registry Number 63244-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO2S2
InChI InChI=1S/C14H11NO2S2/c1-17-13(16)12-11(9-6-4-3-5-7-9)10(8-15)14(18-2)19-12/h3-7H,1-2H3
InChIKey PLYHDVHOJMQTAQ-UHFFFAOYSA-N
Molecular Weight 289.367 g/mol
SMILES c1(c(c(C#N)c(s1)SC)-c1ccccc1)C(=O)OC
SPLASH splash10-052r-0190000000-fe0151678aa27b074b40
Source of Spectrum AD-0-2532-0
Wiley ID 1431577