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(2E)-2-benzoylpenta-2,4-dienethioic acid S-methyl ester
SpectraBase Compound ID GTqr6NWydQf
InChI InChI=1S/C13H12O2S/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h3-9H,1H2,2H3/b11-7+
InChIKey KPSLCIYRKIBVQH-YRNVUSSQSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZWZI1gNMF6
Name (2E)-2-benzoylpenta-2,4-dienethioic acid S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h3-9H,1H2,2H3/b11-7+
InChIKey KPSLCIYRKIBVQH-YRNVUSSQSA-N
Molecular Weight 232.297 g/mol
SMILES C(\C(C(=O)SC)=C/C=C)(=O)c1ccccc1
SPLASH splash10-0a4r-0900000000-62eb558305356629cf72
Source of Spectrum KC-0-1751-5
Synonyms S-methyl (2E)-2-(phenylcarbonyl)penta-2,4-dienethioate S-methyl (2E)-2-benzoylpenta-2,4-dienethioate
Wiley ID 781416