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2-(Phenylthio)-3-butenoic acid ethyl ester
SpectraBase Compound ID F6MqCmm0nHe
InChI InChI=1S/C12H14O2S/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h3,5-9,11H,1,4H2,2H3
InChIKey ZPJBTUPJJRNKGS-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81FDkQRGIt7
Name 2-(Phenylthio)-3-butenoic acid ethyl ester
Alternate Name(s) 2-(Phenylthio)but-3-enoic acid ethyl ester Ethyl 2-phenylsulfanylbut-3-enoate
CAS Registry Number 109542-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h3,5-9,11H,1,4H2,2H3
InChIKey ZPJBTUPJJRNKGS-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C(C(Sc1ccccc1)C=C)(=O)OCC
SPLASH splash10-0002-2930000000-c1c2257def54bfe2a161
Source of Spectrum KC-1986-1952-15
Wiley ID 1222145