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3,3-Dimethyl-1-(phenylsulfanyl)-2-butanone
SpectraBase Compound ID 48dnJ83lg4J
InChI InChI=1S/C12H16OS/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey SVDXRFBFBPAKCI-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iBYu9RFNZF
Name 3,3-Dimethyl-1-(phenylsulfanyl)-2-butanone
Alternate Name(s) 3,3-Dimethyl-1-(phenylthio)-2-butanone 3,3-Dimethyl-1-(phenylthio)butan-2-one 3,3-Dimethyl-1-phenylsulfanyl-butan-2-one
CAS Registry Number 37471-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey SVDXRFBFBPAKCI-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(C(C)(C)C)(CSc1ccccc1)=O
SPLASH splash10-0a4i-9730000000-51a7f9eff48623daf80f
Source of Spectrum KC-1977-20-2278
Wiley ID 1206719