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3,5-Dimethyl-3-(phenylthio)hexan-2-one
SpectraBase Compound ID 8usx5HLPmVj
InChI InChI=1S/C14H20OS/c1-11(2)10-14(4,12(3)15)16-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKey MQRVDUXYVCVGBP-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19OfzUAt4rm
Name 3,5-Dimethyl-3-(phenylthio)hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-11(2)10-14(4,12(3)15)16-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
InChIKey MQRVDUXYVCVGBP-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(CC(C)C)C
SPLASH splash10-000l-0900000000-b7ed44ae5a3fe0702593
Source of Spectrum KC-1993-1654-60
Synonyms 3,5-Dimethyl-3-(phenylsulfanyl)-2-hexanone
Wiley ID 778292