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(E)-3-(benzylthio)crotonic acid
SpectraBase Compound ID HNxbHSPP44Y
InChI InChI=1S/C11H12O2S/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7-
InChIKey ISDFRMQXMDCKOH-CLFYSBASSA-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 1ZKHazvQqrT
Name (E)-3-(benzylthio)crotonic acid
Alternate Name(s) (2Z)-3-(benzylsulfanyl)-2-butenoic acid
CAS Registry Number 67959-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7-
InChIKey ISDFRMQXMDCKOH-CLFYSBASSA-N
Molecular Weight 208.275 g/mol
SMILES OC(\C=C\(SCc1ccccc1)C)=O
SPLASH splash10-0006-9310000000-a292f930768c14f427d4
Source of Spectrum J-51-3014-0
Wiley ID 1206483