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2-Butanone, 3-(phenylsulfinyl)-
SpectraBase Compound ID H0tI1HN8O8E
InChI InChI=1S/C10H12O2S/c1-8(11)9(2)13(12)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey BDELVPBSXDTZTK-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGPSreZnZUG
Name 2-Butanone, 3-(phenylsulfinyl)-
CAS Registry Number 53931-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-8(11)9(2)13(12)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey BDELVPBSXDTZTK-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES C(S(=O)c1ccccc1)(C(=O)C)C
SPLASH splash10-004i-2900000000-b1da3299162626cabbb7
Source of Spectrum KC-1986-1942-12
Synonyms 3-(Phenylsulfinyl)-2-butanone 3-Phenylsulphinylbutan-2-one 3-(benzenesulfinyl)-2-butanone 3-(Phenylsulfinyl)butan-2-one
Wiley ID 1192714