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Ethyl (2E)-5-benzoyl-4-thiapent-2-enoate
SpectraBase Compound ID 1wwEUEV5jg1
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)8-9-17-10-12(14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
InChIKey CUSNVEZTFMGOPV-CMDGGOBGSA-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 9fykhQkNEWD
Name Ethyl (2E)-5-benzoyl-4-thiapent-2-enoate
CAS Registry Number 139313-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)8-9-17-10-12(14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
InChIKey CUSNVEZTFMGOPV-CMDGGOBGSA-N
Molecular Weight 250.312 g/mol
SMILES C(\C=C\SCC(=O)c1ccccc1)(=O)OCC
SPLASH splash10-0pdi-9840000000-f0d4bb94693d3c42c628
Source of Spectrum J-57-2352-10
Synonyms Ethyl (2E)-3-[(2-oxo-2-phenylethyl)sulfanyl]-2-propenoate
Wiley ID 1253058