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(3R,7S)-3,7-diphenyl-1,2-dithiepan-5-one
SpectraBase Compound ID K2rRLKLFcs4
InChI InChI=1S/C17H16OS2/c18-15-11-16(13-7-3-1-4-8-13)19-20-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+
InChIKey QIBRNQNUMSJKKP-CALCHBBNSA-N
Mol Weight 300.43 g/mol
Molecular Formula C17H16OS2
Exact Mass 300.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqbpH2XCUa5
Name (3R,7S)-3,7-diphenyl-1,2-dithiepan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16OS2
InChI InChI=1S/C17H16OS2/c18-15-11-16(13-7-3-1-4-8-13)19-20-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+
InChIKey QIBRNQNUMSJKKP-CALCHBBNSA-N
Molecular Weight 300.434 g/mol
SMILES [C@]1(SS[C@](CC(C1)=O)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-001i-0900000000-140d38e2ab4ff5e65062
Source of Spectrum J-58-6107-9
Synonyms (3S,7R)-3,7-diphenyl-5-dithiepanone (3S,7R)-3,7-diphenyl-1,2-dithiepan-5-one
Wiley ID 1302861