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(E)-4-Phenylthio-but-3-en-2-one
SpectraBase Compound ID BZyw0ZCAjSS
InChI InChI=1S/C10H10OS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey IUDATFOKAOFQMH-BQYQJAHWSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rpPvByRy1B
Name (E)-4-(phenylthio)-3-buten-2-one
CAS Registry Number 33944-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10OS
InChI InChI=1S/C10H10OS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey IUDATFOKAOFQMH-BQYQJAHWSA-N
Molecular Weight 178.249 g/mol
SMILES c1(S\C=C\C(=O)C)ccccc1
SPLASH splash10-03fu-1900000000-ce421f1e0c76e83da27b
Source of Spectrum KC-1988-1032-4
Synonyms (E)-4-(phenylthio)but-3-en-2-one (E)-4-phenylsulfanylbut-3-en-2-one
Wiley ID 1173895