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3-(4-Chlorophenyl)-4-cyano-5-(cyclohexylthio)-2-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID 73mzy3DrBLq
InChI InChI=1S/C20H20ClNO2S2/c1-2-24-19(23)18-17(13-8-10-14(21)11-9-13)16(12-22)20(26-18)25-15-6-4-3-5-7-15/h8-11,15H,2-7H2,1H3
InChIKey OEMCMOKPVVLLSV-UHFFFAOYSA-N
Mol Weight 405.96 g/mol
Molecular Formula C20H20ClNO2S2
Exact Mass 405.062399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAqQXTPONNV
Name 3-(4-Chlorophenyl)-4-cyano-5-(cyclohexylthio)-2-thiophenecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClNO2S2
InChI InChI=1S/C20H20ClNO2S2/c1-2-24-19(23)18-17(13-8-10-14(21)11-9-13)16(12-22)20(26-18)25-15-6-4-3-5-7-15/h8-11,15H,2-7H2,1H3
InChIKey OEMCMOKPVVLLSV-UHFFFAOYSA-N
Molecular Weight 405.958 g/mol
SMILES c1(c(c(-c2ccc(Cl)cc2)c(s1)C(=O)OCC)C#N)SC1CCCCC1
SPLASH splash10-0abc-9144000000-199d0e19dd1bc2e0540e
Synonyms 3-(4-Chlorophenyl)-4-cyano-5-(cyclohexylthio)thiophene-2-carboxylic acid ethyl ester Ethyl 3-(4-chlorophenyl)-4-cyano-5-cyclohexylsulfanyl-thiophene-2-carboxylate
Wiley ID 1446532