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cis-3,11-dithiatricyclo[11.2.2.1(5,9)]octadeca-1(15),13,16-triene
SpectraBase Compound ID 4P3FqGUGXSJ
InChI InChI=1S/C16H22S2/c1-2-15-8-16(3-1)12-18-10-14-6-4-13(5-7-14)9-17-11-15/h4-7,15-16H,1-3,8-12H2/t15-,16+
InChIKey POCAMENCLHVQSD-IYBDPMFKSA-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 1nptixDzWnY
Name cis-3,11-dithiatricyclo[11.2.2.1(5,9)]octadeca-1(15),13,16-triene
Alternate Name(s) (5R,9S)-3,11-dithiatricyclo[11.2.2.1(5,9)]octadeca-1(15),13,16-triene
Comments Less than 3 mono-isotopic peaks
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Formula C16H22S2
InChI InChI=1S/C16H22S2/c1-2-15-8-16(3-1)12-18-10-14-6-4-13(5-7-14)9-17-11-15/h4-7,15-16H,1-3,8-12H2/t15-,16+
InChIKey POCAMENCLHVQSD-IYBDPMFKSA-N
Molecular Weight 278.472 g/mol
SMILES C1SC[C@@]2(C[C@](CSCc3ccc1cc3)(CCC2)[H])[H]
SPLASH splash10-0udi-0930000000-c8b3097b0a45464ef66b
Source of Spectrum KC-0-1727-11
Wiley ID 828470