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1-(4-butylsulfanylphenyl)propan-1-one
SpectraBase Compound ID BohzfNknpmR
InChI InChI=1S/C13H18OS/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h6-9H,3-5,10H2,1-2H3
InChIKey WPXXHOMEOUTVNI-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 4TdI4Jr08UR
Name 1-(4-butylsulfanylphenyl)propan-1-one
Alternate Name(s) 1-[4-(butylsulfanyl)phenyl]-1-propanone 1-[4-(butylthio)phenyl]-1-propanone 1-[4-(butylthio)phenyl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h6-9H,3-5,10H2,1-2H3
InChIKey WPXXHOMEOUTVNI-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES C(c1ccc(cc1)SCCCC)(=O)CC
SPLASH splash10-0006-2910000000-7e877c5abb4b38191c72
Source of Spectrum KD-14-1785-2
Wiley ID 1636110