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(E)-3-(Benzylthio)-4-hydroxypent-3-en-2-one
SpectraBase Compound ID FnuIKF01aG7
InChI InChI=1S/C12H14O2S/c1-9(13)12(10(2)14)15-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3/b12-9+
InChIKey ZHZGLCSHEVREFY-FMIVXFBMSA-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 HSNAQXC5Ajg
Name (E)-3-(Benzylthio)-4-hydroxypent-3-en-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-9(13)12(10(2)14)15-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3/b12-9+
InChIKey ZHZGLCSHEVREFY-FMIVXFBMSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 222.302 g/mol
Reported Formula C12H14O2S
SMILES O\C(=C/(SCc1ccccc1)C(C)=O)C
SPLASH splash10-0006-9010000000-98be3ea081ee7df0ed01
Source of Spectrum BJO-17-SM9-6
Wiley ID 1858446