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trans-2,3-Dibenzoyl-1,4-dithiacycloheptane
SpectraBase Compound ID JD6T25LEK5V
InChI InChI=1S/C19H18O2S2/c20-16(14-8-3-1-4-9-14)18-19(23-13-7-12-22-18)17(21)15-10-5-2-6-11-15/h1-6,8-11,18-19H,7,12-13H2/t18-,19-/m0/s1
InChIKey AQJXHCWCWBNLEF-OALUTQOASA-N
Mol Weight 342.47 g/mol
Molecular Formula C19H18O2S2
Exact Mass 342.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQyZE1X1xsW
Name trans-2,3-Dibenzoyl-1,4-dithiacycloheptane
Alternate Name(s) ((2S,3S)-1,4-dithiepane-2,3-diyl)bis(phenylmethanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2S2
InChI InChI=1S/C19H18O2S2/c20-16(14-8-3-1-4-9-14)18-19(23-13-7-12-22-18)17(21)15-10-5-2-6-11-15/h1-6,8-11,18-19H,7,12-13H2/t18-,19-/m0/s1
InChIKey AQJXHCWCWBNLEF-OALUTQOASA-N
Molecular Weight 342.471 g/mol
SMILES [C@@]1(SCCCS[C@]1(C(=O)c1ccccc1)[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-0a6r-9610000000-5bcffde013c09436eaa9
Source of Spectrum CCA-80-27-1
Wiley ID 1743801