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METHYL-(Z)-3-PHENYLTHIO-2-BUTENOATE
SpectraBase Compound ID 3LfcfzSXsWI
InChI InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
InChIKey LNWWTJYGGYLSAP-HJWRWDBZSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ERgN0yjrXt
Name (Z)-3-(phenylthio)-2-butenoic acid methyl ester
Alternate Name(s) (Z)-3-(phenylthio)but-2-enoic acid methyl ester Methyl (Z)-3-phenylsulfanylbut-2-enoate
CAS Registry Number 102736-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
InChIKey LNWWTJYGGYLSAP-HJWRWDBZSA-N
Molecular Weight 208.275 g/mol
SMILES c1(S\C(=C/C(=O)OC)C)ccccc1
SPLASH splash10-0a6s-0920000000-8782cf3bbb0d4742d046
Source of Spectrum J-51-3014-5
Wiley ID 1206484