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1-(benzenesulfinyl)-1-chloro-4-methyl-2-hexanone
SpectraBase Compound ID ALQFA83dZZ2
InChI InChI=1S/C13H17ClO2S/c1-3-10(2)9-12(15)13(14)17(16)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKey FWXWAHFZCIFPQV-UHFFFAOYSA-N
Mol Weight 272.79 g/mol
Molecular Formula C13H17ClO2S
Exact Mass 272.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NXl5a6KZnK
Name 1-(benzenesulfinyl)-1-chloro-4-methyl-2-hexanone
Alternate Name(s) 1-(benzenesulfinyl)-1-chloro-4-methyl-hexan-2-one 1-Chloranyl-4-methyl-1-(phenylsulfinyl)hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO2S
InChI InChI=1S/C13H17ClO2S/c1-3-10(2)9-12(15)13(14)17(16)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKey FWXWAHFZCIFPQV-UHFFFAOYSA-N
Molecular Weight 272.790 g/mol
SMILES C(C(CC(CC)C)=O)(S(=O)c1ccccc1)Cl
SPLASH splash10-004i-2910000000-95dddb369664ddadd29e
Source of Spectrum E2-51-604-4
Wiley ID 1556086