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4-Chloranyl-4-(4-methylphenyl)sulfinyl-1-phenyl-heptan-3-one
SpectraBase Compound ID BIX9XZsGVTY
InChI InChI=1S/C20H23ClO2S/c1-3-15-20(21,24(23)18-12-9-16(2)10-13-18)19(22)14-11-17-7-5-4-6-8-17/h4-10,12-13H,3,11,14-15H2,1-2H3
InChIKey IEFOQWJYBZLWDP-UHFFFAOYSA-N
Mol Weight 362.92 g/mol
Molecular Formula C20H23ClO2S
Exact Mass 362.110729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDMSHVLLnfo
Name 4-Chloranyl-4-(4-methylphenyl)sulfinyl-1-phenyl-heptan-3-one
Alternate Name(s) 4-Chloro-1-phenyl-4-(p-tolylsulfinyl)heptan-3-one 4-Chloro-4-(4-methylphenyl)sulfinyl-1-phenylheptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClO2S
InChI InChI=1S/C20H23ClO2S/c1-3-15-20(21,24(23)18-12-9-16(2)10-13-18)19(22)14-11-17-7-5-4-6-8-17/h4-10,12-13H,3,11,14-15H2,1-2H3
InChIKey IEFOQWJYBZLWDP-UHFFFAOYSA-N
Molecular Weight 362.915 g/mol
SMILES C(CC(C(CCC)(S(=O)c1ccc(cc1)C)Cl)=O)c1ccccc1
SPLASH splash10-000i-0920000000-76eea27e30f716e5fcae
Source of Spectrum AJ-65-2803-7
Wiley ID 771575