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(Z)-2-(phenylthio)-2-butenoic acid ethyl ester
SpectraBase Compound ID 7XyDeIUK5ys
InChI InChI=1S/C12H14O2S/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h3,5-9H,4H2,1-2H3/b11-3-
InChIKey SMCMHOHEZBVJJD-JYOAFUTRSA-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 IyCEpaQV3T2
Name (Z)-2-(phenylthio)-2-butenoic acid ethyl ester
CAS Registry Number 77873-90-6
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/h3,5-9H,4H2,1-2H3/b11-3-
InChIKey SMCMHOHEZBVJJD-JYOAFUTRSA-N
Molecular Weight 222.302 g/mol
SMILES C(\C(Sc1ccccc1)=C\C)(=O)OCC
SPLASH splash10-02gn-0920000000-f18f81a8a0373b0e6686
Source of Spectrum KC-1986-1943-2
Synonyms (Z)-2-(phenylthio)but-2-enoic acid ethyl ester Ethyl (2Z)-2-(phenylsulfanyl)-2-butenoate Ethyl (Z)-2-phenylsulfanylbut-2-enoate
Wiley ID 1222144