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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-15-nitro-, 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-15-nitro-, 3,3,11,11-tetraoxide, stereoisomer
SpectraBase Compound ID 4ilKk2x4Vrq
InChI InChI=1S/C18H19NO8S2/c1-26-17-6-14-10-28(22,23)8-12-3-13(5-16(4-12)19(20)21)9-29(24,25)11-15(7-17)18(14)27-2/h3-7H,8-11H2,1-2H3
InChIKey OXMRRFCDCSCJOQ-UHFFFAOYSA-N
Mol Weight 441.47 g/mol
Molecular Formula C18H19NO8S2
Exact Mass 441.055209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KscMOwczgJ0
Name 3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-15-nitro-, 3,3,11,11-tetraoxide, stereoisomer
CAS Registry Number 96409-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO8S2
InChI InChI=1S/C18H19NO8S2/c1-26-17-6-14-10-28(22,23)8-12-3-13(5-16(4-12)19(20)21)9-29(24,25)11-15(7-17)18(14)27-2/h3-7H,8-11H2,1-2H3
InChIKey OXMRRFCDCSCJOQ-UHFFFAOYSA-N
Molecular Weight 441.469 g/mol
SMILES C1S(Cc2cc(CS(Cc3c(c1cc(c3)OC)OC)(=O)=O)cc(c2)N(=O)=O)(=O)=O
SPLASH splash10-01p9-0095300000-57ae1c53844239c4e58d
Source of Spectrum K-118-1226-26
Synonyms 15,17-dimethoxy-7-nitro-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene 3,3,11,11-tetraoxide 6,9-Dimethoxy-15-nitro-2,11-dithia[3.3]metacyclophan-2,2,11,11-tetraoxid
Wiley ID 1385002