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Ethyl (E)-4-Benzylthio-2-butenoate

View entire compound with spectra: 1 MS (GC)

Ethyl (E)-4-Benzylthio-2-butenoate
SpectraBase Compound ID BQB629TV9Ru
InChI InChI=1S/C13H16O2S/c1-2-15-13(14)9-6-10-16-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+
InChIKey PZOWVZKZSXXTKB-RMKNXTFCSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yOXIG7VbW0
Name Ethyl (E)-4-Benzylthio-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-2-15-13(14)9-6-10-16-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+
InChIKey PZOWVZKZSXXTKB-RMKNXTFCSA-N
Molecular Weight 236.329 g/mol
SMILES C(\C=C\CSCc1ccccc1)(=O)OCC
SPLASH splash10-01y5-9400000000-6a9dc7e762c9ff1d3ef1
Source of Spectrum AJ-77-2153-1
Synonyms Ethyl (2E)-4-(benzylsulfanyl)-2-butenoate (E)-4-(phenylmethylthio)-2-butenoic acid ethyl ester Ethyl (E)-4-benzylsulfanylbut-2-enoate Ethyl (E)-4-(phenylmethylsulfanyl)but-2-enoate
Wiley ID 1577513