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3-Methyl-1-(phenylsulfanyl)-2-butanone
SpectraBase Compound ID EZGtIFNJUVx
InChI InChI=1S/C11H14OS/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey MZAUOCRPISRSTQ-UHFFFAOYSA-N
Mol Weight 194.29 g/mol
Molecular Formula C11H14OS
Exact Mass 194.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BA02in2aEu
Name 3-Methyl-1-(phenylsulfanyl)-2-butanone
Alternate Name(s) 3-Methyl-1-(phenylthio)-2-butanone 3-Methyl-1-(phenylthio)butan-2-one 3-Methyl-1-phenylsulfanyl-butan-2-one
CAS Registry Number 71221-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14OS
InChI InChI=1S/C11H14OS/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey MZAUOCRPISRSTQ-UHFFFAOYSA-N
Molecular Weight 194.292 g/mol
SMILES CC(C)C(CSc1ccccc1)=O
SPLASH splash10-00dl-9300000000-bbc404db19438d5aa73b
Source of Spectrum W5-1989-37528-28008
Wiley ID 1190567