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8-Oxatricyclo[7.4.0.0(2,7)]trideca-1(9),2,4,6,10,12-hexaen-4-yl 3-oxo-2-azatricyclo[6.3.1.0(4,12)]dodeca-1(12),4,6,8,10-pentaene-9-sulfonate
SpectraBase Compound ID FKU7tUMp0I4
InChI InChI=1S/C23H13NO5S/c25-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(26,27)29-13-8-10-20-17(12-13)14-4-1-2-7-19(14)28-20/h1-12H,(H,24,25)
InChIKey CZARVBQDPMXUAZ-UHFFFAOYSA-N
Mol Weight 415.42 g/mol
Molecular Formula C23H13NO5S
Exact Mass 415.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58euCl9tP5r
Name 8-Oxatricyclo[7.4.0.0(2,7)]trideca-1(9),2,4,6,10,12-hexaen-4-yl 3-oxo-2-azatricyclo[6.3.1.0(4,12)]dodeca-1(12),4,6,8,10-pentaene-9-sulfonate
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Formula C23H13NO5S
InChI InChI=1S/C23H13NO5S/c25-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(26,27)29-13-8-10-20-17(12-13)14-4-1-2-7-19(14)28-20/h1-12H,(H,24,25)
InChIKey CZARVBQDPMXUAZ-UHFFFAOYSA-N
Molecular Weight 415.419 g/mol
SMILES N1C(c2c3c(c(ccc13)S(Oc1cc3c4c(cccc4)oc3cc1)(=O)=O)ccc2)=O
SPLASH splash10-001i-1900000000-c423a668ee6d8e16a1e9
Source of Spectrum IY-2-5178-3
Synonyms Benzo[cd]indole-6-sulfonic acid, 1,2-dihydro-2-oxo-, benzo[b]benzofuran-2-yl ester 2-Oxo-1H-benzo[cd]indole-6-sulfonic acid 2-dibenzofuranyl ester dibenzofuran-2-yl 2-oxo-1H-benzo[cd]indole-6-sulfonate dibenzofuran-2-yl 2-oxidanylidene-1H-benzo[cd]indole-6-sulfonate
Wiley ID 1659766