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2-Benzoyl-5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
SpectraBase Compound ID KzXDaYjnuNp
InChI InChI=1S/C21H16ClN3O3S/c22-17-10-15-19-16(11-24(23-19)21(26)12-4-2-1-3-5-12)18(17)20(15)29-14-8-6-13(7-9-14)25(27)28/h1-9,11,15,17-18,20H,10H2/t15-,17+,18-,20-/m0/s1
InChIKey PBFKWQJMXHNCBH-NFBUACBFSA-N
Mol Weight 425.89 g/mol
Molecular Formula C21H16ClN3O3S
Exact Mass 425.06009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ift0bJTLOu1
Name 2-Benzoyl-5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
Alternate Name(s) 2-Benzoyl-5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfenyl)-2H-indazole 4-Benzoyl-8-chloro-10-[(4-nitrophenyl)sulfanyl]-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-diene 4-Benzoyl-8-chloro-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-dien-10-yl 4-nitrophenyl sulfide
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Formula C21H16ClN3O3S
InChI InChI=1S/C21H16ClN3O3S/c22-17-10-15-19-16(11-24(23-19)21(26)12-4-2-1-3-5-12)18(17)20(15)29-14-8-6-13(7-9-14)25(27)28/h1-9,11,15,17-18,20H,10H2/t15-,17+,18-,20-/m0/s1
InChIKey PBFKWQJMXHNCBH-NFBUACBFSA-N
Molecular Weight 425.890 g/mol
SMILES c12c(n[n](c2)C(=O)c2ccccc2)[C@]2([C@@]([C@@]1([C@@](C2)(Cl)[H])[H])(Sc1ccc(N(=O)=O)cc1)[H])[H]
SPLASH splash10-0a4i-0900000000-2fc36702a76f7aee12f2
Source of Spectrum KC-0-2738-24
Wiley ID 831429