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S-Methyl 3-oxo-5-phenyl-4-pentenethioate
SpectraBase Compound ID 6Exl8CkPZNg
InChI InChI=1S/C12H12O2S/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b8-7+
InChIKey DFSHPWFNQSMCIF-BQYQJAHWSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOnaViaP7gj
Name S-Methyl 3-oxo-5-phenyl-4-pentenethioate
Alternate Name(s) S-methyl (4E)-3-oxo-5-phenyl-4-pentenethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b8-7+
InChIKey DFSHPWFNQSMCIF-BQYQJAHWSA-N
Molecular Weight 220.286 g/mol
SMILES C(C(=O)SC)C(\C=C\c1ccccc1)=O
SPLASH splash10-0flr-0900000000-db47263797153f71cb6a
Source of Spectrum SK-31-1461-6
Wiley ID 882016