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1-(Phenylsulfonyl)heptan-2-one

View entire compound with spectra: 2 MS (GC)

1-(Phenylsulfonyl)heptan-2-one
SpectraBase Compound ID 2BEOT9PtftV
InChI InChI=1S/C13H18O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey XKAJICXKMBZPJA-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 B0Tf5hWfMu0
Name 1-(benzenesulfonyl)-2-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey XKAJICXKMBZPJA-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(=O)CCCCC
SPLASH splash10-0006-0910000000-0a351241d50276283fc1
Source of Spectrum QC-10-1374-3
Synonyms 1-(benzenesulfonyl)heptan-2-one 1-(Phenylsulfonyl)heptan-2-one 1-besylheptan-2-one
Wiley ID 871279