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3-Methyl-1-(phenylsulfonyl)hexane-2-one
SpectraBase Compound ID 1jnKkQnOYsL
InChI InChI=1S/C13H18O3S/c1-3-7-11(2)13(14)10-17(15,16)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKey KEQMGYGIIVYFST-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zBHumLpUim
Name 3-Methyl-1-(phenylsulfonyl)hexane-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-3-7-11(2)13(14)10-17(15,16)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKey KEQMGYGIIVYFST-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(=O)C(CCC)C
SPLASH splash10-01ox-9770000000-099ff66b552c6968bc5f
Source of Spectrum QC-7-1291-1
Synonyms 3-Methyl-1-(phenylsulfonyl)-2-hexanone
Wiley ID 869293