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1-(benzylthio)-2-propanone
SpectraBase Compound ID IJn1uQnPnCT
InChI InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey OIEDQMIEPJIRFT-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4p4clGKnKD8
Name 1-(Benzylthio)propan-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey OIEDQMIEPJIRFT-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 180.265 g/mol
Reported Formula C10H12OS
SMILES CC(=O)CSCc1ccccc1
SPLASH splash10-006x-9500000000-9c05ddd7a5766f6000c7
Source of Spectrum BJO-17-SM7-4a
Wiley ID 1858440