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2-Heptanone, 1-(phenylsulfinyl)-
SpectraBase Compound ID 8xVG33jC1lJ
InChI InChI=1S/C13H18O2S/c1-2-3-5-8-12(14)11-16(15)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey BIJHTIRQTRRSAI-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 Imgxz3PfDV2
Name 2-Heptanone, 1-(phenylsulfinyl)-
Alternate Name(s) 1-(Phenylsulfinyl)heptan-2-one 1-(benzenesulfinyl)-2-heptanone
CAS Registry Number 41103-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-2-3-5-8-12(14)11-16(15)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey BIJHTIRQTRRSAI-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(S(=O)c1ccccc1)C(=O)CCCCC
SPLASH splash10-004i-6910000000-26fc699807a11ab6fb5c
Source of Spectrum B-31-1975-0
Wiley ID 1240431