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Hexanal, 5-methyl-2-(phenylthio)-
SpectraBase Compound ID FujXJTxg3Jb
InChI InChI=1S/C13H18OS/c1-11(2)8-9-13(10-14)15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKey WRFHMTXSBWKCQX-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSRLPNAl3zz
Name Hexanal, 5-methyl-2-(phenylthio)-
CAS Registry Number 66332-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-11(2)8-9-13(10-14)15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKey WRFHMTXSBWKCQX-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES c1(SC(C=O)CCC(C)C)ccccc1
SPLASH splash10-06z9-9810000000-9dafdeb5a9e43b56e3d1
Source of Spectrum KC-1977-2280-0
Synonyms 5-Methyl-2-(phenylsulfanyl)hexanal 5-Methyl-2-phenylthiohexanal
Wiley ID 1222472