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5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-2-(p-nitrbenzoyl)-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
SpectraBase Compound ID GCpiK1mW5Py
InChI InChI=1S/C21H15ClN4O5S/c22-17-9-15-19-16(18(17)20(15)32-14-7-5-13(6-8-14)26(30)31)10-24(23-19)21(27)11-1-3-12(4-2-11)25(28)29/h1-8,10,15,17-18,20H,9H2/t15-,17+,18-,20-/m0/s1
InChIKey FXFWUPQYVSPFOT-NFBUACBFSA-N
Mol Weight 470.89 g/mol
Molecular Formula C21H15ClN4O5S
Exact Mass 470.045168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYixUP1oDZ6
Name 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-2-(p-nitrbenzoyl)-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
Alternate Name(s) 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-2-(p-nitrbenzoyl)-8-anti-(p-nitrophenylsulfenyl)-2H-indazole 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-2-(p-nitrobenzoyl)-8-anti-(p-nitrophenylsulfanyl)-2H-indazole 8-Chloro-4-(4-nitrobenzoyl)-10-[(4-nitrophenyl)sulfanyl]-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-diene 8-Chloro-4-(4-nitrobenzoyl)-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-dien-10-yl 4-nitrophenyl sulfide
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Formula C21H15ClN4O5S
InChI InChI=1S/C21H15ClN4O5S/c22-17-9-15-19-16(18(17)20(15)32-14-7-5-13(6-8-14)26(30)31)10-24(23-19)21(27)11-1-3-12(4-2-11)25(28)29/h1-8,10,15,17-18,20H,9H2/t15-,17+,18-,20-/m0/s1
InChIKey FXFWUPQYVSPFOT-NFBUACBFSA-N
Molecular Weight 470.887 g/mol
SMILES c12c(n[n](c2)C(c2ccc(N(=O)=O)cc2)=O)[C@]2([C@@]([C@@]1([C@@](C2)(Cl)[H])[H])(Sc1ccc(N(=O)=O)cc1)[H])[H]
SPLASH splash10-0udi-0900000000-69e02598d8dbb08b45a6
Source of Spectrum KC-0-2738-27
Wiley ID 831426