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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-, 3,3,11,11-tetraoxide, stereoisomer

View entire compound with spectra: 1 MS (GC)

3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, 3,3,11,11-tetraoxide, stereoisomer
SpectraBase Compound ID 4o8jgi6fJWa
InChI InChI=1S/C18H20O6S2/c1-23-16-7-14-6-15(9-16)18(24-2)12-26(21,22)17-5-3-4-13(8-17)10-25(19,20)11-14/h3-9,18H,10-12H2,1-2H3
InChIKey RATRVSLWJUGSIC-UHFFFAOYSA-N
Mol Weight 396.47 g/mol
Molecular Formula C18H20O6S2
Exact Mass 396.070131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MmtUmNNTp9
Name 3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, 3,3,11,11-tetraoxide, stereoisomer
CAS Registry Number 96452-84-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O6S2
InChI InChI=1S/C18H20O6S2/c1-23-16-7-14-6-15(9-16)18(24-2)12-26(21,22)17-5-3-4-13(8-17)10-25(19,20)11-14/h3-9,18H,10-12H2,1-2H3
InChIKey RATRVSLWJUGSIC-UHFFFAOYSA-N
Molecular Weight 396.472 g/mol
SMILES C1S(c2cc(CS(Cc3cc(C1OC)cc(c3)OC)(=O)=O)ccc2)(=O)=O
SPLASH splash10-000i-0092000000-10f6827cc1fc1e4edfe9
Source of Spectrum K-118-1252-28
Synonyms 4,7-dimethoxy-2,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene 2,2,11,11-tetraoxide 6,9-Dimethoxy-2,11-dithhia[3.3]metacyclophan-2,2,11,11-tetraoxid
Wiley ID 1367281