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3-Penten-2-one, 3-(phenylthio)-, (E)-
SpectraBase Compound ID Kz4YF5RT6Kr
InChI InChI=1S/C11H12OS/c1-3-11(9(2)12)13-10-7-5-4-6-8-10/h3-8H,1-2H3/b11-3+
InChIKey YXULYNLFIKJVCW-QDEBKDIKSA-N
Mol Weight 192.28 g/mol
Molecular Formula C11H12OS
Exact Mass 192.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PeMdQxy0qe
Name 3-Penten-2-one, 3-(phenylthio)-, (E)-
CAS Registry Number 109328-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12OS
InChI InChI=1S/C11H12OS/c1-3-11(9(2)12)13-10-7-5-4-6-8-10/h3-8H,1-2H3/b11-3+
InChIKey YXULYNLFIKJVCW-QDEBKDIKSA-N
Molecular Weight 192.276 g/mol
SMILES c1(S\C(C(=O)C)=C/C)ccccc1
SPLASH splash10-000y-0900000000-8d18022c555e928650dc
Source of Spectrum KC-1986-1943-1
Synonyms (3E)-3-(phenylsulfanyl)-3-penten-2-one 3-Phenylthiopent-3-en-2-one
Wiley ID 1188285