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(E)-5-(4-chlorophenyl)-3-keto-pent-4-enethioic acid S-methyl ester
SpectraBase Compound ID Djo8VPvsqQG
InChI InChI=1S/C12H11ClO2S/c1-16-12(15)8-11(14)7-4-9-2-5-10(13)6-3-9/h2-7H,8H2,1H3/b7-4+
InChIKey JBDIXNQBFFFPSW-QPJJXVBHSA-N
Mol Weight 254.73 g/mol
Molecular Formula C12H11ClO2S
Exact Mass 254.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IO1kHgsuMFw
Name (E)-5-(4-chlorophenyl)-3-keto-pent-4-enethioic acid S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClO2S
InChI InChI=1S/C12H11ClO2S/c1-16-12(15)8-11(14)7-4-9-2-5-10(13)6-3-9/h2-7H,8H2,1H3/b7-4+
InChIKey JBDIXNQBFFFPSW-QPJJXVBHSA-N
Molecular Weight 254.731 g/mol
SMILES C(C(=O)SC)C(\C=C\c1ccc(cc1)Cl)=O
SPLASH splash10-066r-1950000000-530a4be8a9053b5ad6b8
Source of Spectrum SK-31-1461-6
Synonyms (E)-5-(4-chlorophenyl)-3-oxo-4-pentenethioic acid S-methyl ester S-methyl (E)-5-(4-chlorophenyl)-3-oxidanylidene-pent-4-enethioate S-methyl (E)-5-(4-chlorophenyl)-3-oxo-pent-4-enethioate
Wiley ID 882015