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1,3-Diphenyl-3-(4-bromophenylsulfanyl)propan-1-one
SpectraBase Compound ID 7hbes4yJekn
InChI InChI=1S/C21H17BrOS/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKey HTWIAAJEFQVYDN-UHFFFAOYSA-N
Mol Weight 397.33 g/mol
Molecular Formula C21H17BrOS
Exact Mass 396.018349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID V7R50nEiaK
Name 1,3-Diphenyl-3-(4-bromophenylsulfanyl)propan-1-one
Alternate Name(s) 3-((4-bromophenyl)thio)-1,3-diphenylpropan-1-one 3-[(4-bromophenyl)thio]-1,3-diphenyl-1-propanone 3-(4-bromophenyl)sulfanyl-1,3-diphenylpropan-1-one 3-(4-bromophenyl)sulfanyl-1,3-diphenyl-propan-1-one
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Formula C21H17BrOS
InChI InChI=1S/C21H17BrOS/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKey HTWIAAJEFQVYDN-UHFFFAOYSA-N
Literature Reference DOI 10.1080/00397911.2013.788720
Molecular Weight 397.330 g/mol
SMILES c1cc(C(CC(Sc2ccc(cc2)Br)c2ccccc2)=O)ccc1
SPLASH splash10-0a4i-2900000000-e9b518f5baa147df1b83
Source of Spectrum B1-44-55-5d
Wiley ID 1747931