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3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, stereoisomer
SpectraBase Compound ID HLrSBCo0266
InChI InChI=1S/C18H20O2S2/c1-19-17-7-15-11-21-9-13-4-3-5-14(6-13)10-22-12-16(8-17)18(15)20-2/h3-8H,9-12H2,1-2H3
InChIKey NXLXJDMDRHYLJX-UHFFFAOYSA-N
Mol Weight 332.48 g/mol
Molecular Formula C18H20O2S2
Exact Mass 332.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PsXA6fPPoV
Name 3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, stereoisomer
Alternate Name(s) 6,9-Dimethoxy-2,11-dithia[3.3]metacyclophan 7,18-dimethoxy-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
CAS Registry Number 96409-89-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H20O2S2
InChI InChI=1S/C18H20O2S2/c1-19-17-7-15-11-21-9-13-4-3-5-14(6-13)10-22-12-16(8-17)18(15)20-2/h3-8H,9-12H2,1-2H3
InChIKey NXLXJDMDRHYLJX-UHFFFAOYSA-N
Molecular Weight 332.476 g/mol
SMILES c12c(c(CSCc3cc(CSC2)ccc3)cc(c1)OC)OC
SPLASH splash10-014i-0902000000-aea1d16669cb9dfb39fd
Source of Spectrum K-118-1228-28
Wiley ID 1329318