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6-endo-Chloro-4,5,6,7-tetrahydro-4,7-methano-5-exo-(p-nitrophenylsulfenyl)-2-(phenylcarbamoyl)-2H-indazole
SpectraBase Compound ID 7ccDr7rO9RG
InChI InChI=1S/C21H17ClN4O3S/c22-18-16-10-15(20(18)30-14-8-6-13(7-9-14)26(28)29)17-11-25(24-19(16)17)21(27)23-12-4-2-1-3-5-12/h1-9,11,15-16,18,20H,10H2,(H,23,27)/t15-,16-,18-,20-/m0/s1
InChIKey ZCYPBWVBPKCWEA-DUPRYPCISA-N
Mol Weight 440.91 g/mol
Molecular Formula C21H17ClN4O3S
Exact Mass 440.070989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16fyGH6ffOs
Name 6-endo-Chloro-4,5,6,7-tetrahydro-4,7-methano-5-exo-(p-nitrophenylsulfenyl)-2-(phenylcarbamoyl)-2H-indazole
Alternate Name(s) 6-endo-Chloro-4,5,6,7-tetrahydro-4,7-methano-5-exo-(p-nitrophenylsulfanyl)-2-(phenylcarbamoyl)-2H-indazole 9-Chloro-8-[(4-nitrophenyl)sulfanyl]-N-phenyl-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-diene-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4O3S
InChI InChI=1S/C21H17ClN4O3S/c22-18-16-10-15(20(18)30-14-8-6-13(7-9-14)26(28)29)17-11-25(24-19(16)17)21(27)23-12-4-2-1-3-5-12/h1-9,11,15-16,18,20H,10H2,(H,23,27)/t15-,16-,18-,20-/m0/s1
InChIKey ZCYPBWVBPKCWEA-DUPRYPCISA-N
Molecular Weight 440.905 g/mol
SMILES N(C([n]1cc2c(n1)[C@]1(C[C@@]2([C@@]([C@]1(Cl)[H])(Sc1ccc(N(=O)=O)cc1)[H])[H])[H])=O)c1ccccc1
SPLASH splash10-014i-0901000000-a260da86349a2f1feedc
Source of Spectrum KC-0-2737-23
Wiley ID 831430