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S-Methyl 3-oxo-5-(p-methoxyphenyl)-4-pentenethioate
SpectraBase Compound ID 7w8XlAsfqOl
InChI InChI=1S/C13H14O3S/c1-16-12-7-4-10(5-8-12)3-6-11(14)9-13(15)17-2/h3-8H,9H2,1-2H3/b6-3+
InChIKey LPQUOYMHODUFIR-ZZXKWVIFSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXeOcMBsxyi
Name S-Methyl 3-oxo-5-(p-methoxyphenyl)-4-pentenethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-16-12-7-4-10(5-8-12)3-6-11(14)9-13(15)17-2/h3-8H,9H2,1-2H3/b6-3+
InChIKey LPQUOYMHODUFIR-ZZXKWVIFSA-N
Molecular Weight 250.312 g/mol
SMILES C(C(=O)SC)C(\C=C\c1ccc(cc1)OC)=O
SPLASH splash10-0ik9-0950000000-e630473a371c38311711
Source of Spectrum SK-31-1462-6
Synonyms S-methyl (4E)-5-(4-methoxyphenyl)-3-oxo-4-pentenethioate
Wiley ID 882014