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Dibenzo[c,e]thiepin, 5,7-dihydro-5,7-dimethyl-, 6,6-dioxide, trans-
SpectraBase Compound ID EYMsdamGFsn
InChI InChI=1S/C16H16O2S/c1-11-13-7-3-5-9-15(13)16-10-6-4-8-14(16)12(2)19(11,17)18/h3-12H,1-2H3
InChIKey LCIGJLBQRAZCED-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99u0aEVcBg4
Name Dibenzo[c,e]thiepin, 5,7-dihydro-5,7-dimethyl-, 6,6-dioxide, trans-
Alternate Name(s) 5,7-Dimethyl-5,7-dihydrodibenzo[c,e]thiepin 6,6-dioxide
CAS Registry Number 115941-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-11-13-7-3-5-9-15(13)16-10-6-4-8-14(16)12(2)19(11,17)18/h3-12H,1-2H3
InChIKey LCIGJLBQRAZCED-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C1(S(C(c2c(-c3c1cccc3)cccc2)C)(=O)=O)C
SPLASH splash10-002f-0920000000-5782ba405900939c9d28
Source of Spectrum J-53-4338-20
Wiley ID 1276223