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4-Methyl-1-(phenylsulfinyl)hexan-2-one
SpectraBase Compound ID 93c5pFzqUBV
InChI InChI=1S/C13H18O2S/c1-3-11(2)9-12(14)10-16(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKey IAZZNRZDXDGGQM-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqbW3mo3S0G
Name 4-Methyl-1-(phenylsulfinyl)hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-3-11(2)9-12(14)10-16(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKey IAZZNRZDXDGGQM-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(C(CC(CC)C)=O)S(=O)c1ccccc1
SPLASH splash10-004i-0920000000-b886df7401f9cbc8ff44
Source of Spectrum E2-51-603-3
Synonyms 1-(benzenesulfinyl)-4-methyl-2-hexanone 1-(benzenesulfinyl)-4-methyl-hexan-2-one
Wiley ID 1556090