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trans-3,7-diphenyl-1,2-dothiepan-5-one
SpectraBase Compound ID 8tHJxCq6kbv
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-/m0/s1
InChIKey QIBRNQNUMSJKKP-IRXDYDNUSA-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 D3Kdd5mFIt7
Name trans-3,7-diphenyl-1,2-dothiepan-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-/m0/s1
InChIKey QIBRNQNUMSJKKP-IRXDYDNUSA-N
Molecular Weight 300.434 g/mol
SMILES [C@]1(SS[C@@](CC(C1)=O)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-001i-0921000000-5b10cdbd67f0ea6070c4
Source of Spectrum J-58-6107-9
Synonyms (3S,7S)-3,7-diphenyl-1,2-dithiepan-5-one
Wiley ID 1302860