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cis-3,12-dithiatricyclo[12.3.1.0(5,10)]octadeca-5,7,9-triene
SpectraBase Compound ID 74wBWYRenqt
InChI InChI=1S/C16H22S2/c1-2-7-16-12-18-10-14-5-3-4-13(8-14)9-17-11-15(16)6-1/h1-2,6-7,13-14H,3-5,8-12H2/t13-,14+
InChIKey YAVHJLXQHQSWBG-OKILXGFUSA-N
Mol Weight 278.47 g/mol
Molecular Formula C16H22S2
Exact Mass 278.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvSVlgdu78E
Name cis-3,12-dithiatricyclo[12.3.1.0(5,10)]octadeca-5,7,9-triene
Alternate Name(s) (1R,14S)-3,12-dithiatricyclo[12.3.1.0(5,10)]octadeca-5,7,9-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22S2
InChI InChI=1S/C16H22S2/c1-2-7-16-12-18-10-14-5-3-4-13(8-14)9-17-11-15(16)6-1/h1-2,6-7,13-14H,3-5,8-12H2/t13-,14+
InChIKey YAVHJLXQHQSWBG-OKILXGFUSA-N
Molecular Weight 278.472 g/mol
SMILES C1SC[C@@]2(C[C@](CSCc3c1cccc3)(CCC2)[H])[H]
SPLASH splash10-000i-0910000000-cebe49b89da057efd677
Source of Spectrum KC-0-1728-17
Wiley ID 828464