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5-exo-Chloro-1-ethyl-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
SpectraBase Compound ID 9gqnL4JVtrX
InChI InChI=1S/C16H16ClN3O2S/c1-2-19-15-11-7-13(17)14(12(15)8-18-19)16(11)23-10-5-3-9(4-6-10)20(21)22/h3-6,8,11,13-14,16H,2,7H2,1H3/t11-,13-,14-,16-/m0/s1
InChIKey LXCCUYUAGBNWBI-PCBIJLKTSA-N
Mol Weight 349.84 g/mol
Molecular Formula C16H16ClN3O2S
Exact Mass 349.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X80HBs3hYB
Name 5-exo-Chloro-1-ethyl-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfanyl)-2H-indazole
Alternate Name(s) 5-exo-Chloro-1-ethyl-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfenyl)-2H-indazole 8-Chloro-3-ethyl-10-[(4-nitrophenyl)sulfanyl]-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2(6),4-diene 8-Chloro-3-ethyl-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2(6),4-dien-10-yl 4-nitrophenyl sulfide
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Formula C16H16ClN3O2S
InChI InChI=1S/C16H16ClN3O2S/c1-2-19-15-11-7-13(17)14(12(15)8-18-19)16(11)23-10-5-3-9(4-6-10)20(21)22/h3-6,8,11,13-14,16H,2,7H2,1H3/t11-,13-,14-,16-/m0/s1
InChIKey LXCCUYUAGBNWBI-PCBIJLKTSA-N
Molecular Weight 349.836 g/mol
SMILES c12c([C@]3([C@@]([C@@]2([C@](C3)(Cl)[H])[H])(Sc2ccc(N(=O)=O)cc2)[H])[H])[n](CC)nc1
SPLASH splash10-0002-0900000000-500bb0194aa2a2ad2cea
Source of Spectrum KC-0-2738-32
Wiley ID 831423