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4-Bromo-1-phenyl-4-(p-tolylsulfinyl)-3-heptanone
SpectraBase Compound ID 1UuSK45fwse
InChI InChI=1S/C20H23BrO2S/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 HEUVWMUGQRXCCU-UHFFFAOYSA-N
Mol Weight 407.37 g/mol
Molecular Formula C20H23BrO2S
Exact Mass 406.060214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBJVStwMhbz
Name 4-Bromo-1-phenyl-4-(p-tolylsulfinyl)-3-heptanone
Alternate Name(s) 4-Bromo-4-[(4-methylphenyl)sulfinyl]-1-phenyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrO2S
InChI InChI=1S/C20H23BrO2S/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 HEUVWMUGQRXCCU-UHFFFAOYSA-N
Molecular Weight 407.366 g/mol
SMILES C(CC(C(CCC)(S(=O)c1ccc(cc1)C)Br)=O)c1ccccc1
SPLASH splash10-000f-9070000000-de9a4a52e854795b7c1d
Source of Spectrum AJ-65-2803-2
Wiley ID 771606