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2-Benzoyl-5-endo-chloro-4,5,6,7-tetrahydro-4,7-methano-6-exo-(p-nitrophenylsulfenyl)-2H-indazole
SpectraBase Compound ID 5nowjJekLy3
InChI InChI=1S/C21H16ClN3O3S/c22-18-15-10-16(20(18)29-14-8-6-13(7-9-14)25(27)28)19-17(15)11-24(23-19)21(26)12-4-2-1-3-5-12/h1-9,11,15-16,18,20H,10H2/t15-,16+,18+,20+/m0/s1
InChIKey QGKVIIBXRTYILV-IXIUHKBRSA-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 FUY4QPqUFgP
Name 2-Benzoyl-5-endo-chloro-4,5,6,7-tetrahydro-4,7-methano-6-exo-(p-nitrophenylsulfenyl)-2H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClN3O3S
InChI InChI=1S/C21H16ClN3O3S/c22-18-15-10-16(20(18)29-14-8-6-13(7-9-14)25(27)28)19-17(15)11-24(23-19)21(26)12-4-2-1-3-5-12/h1-9,11,15-16,18,20H,10H2/t15-,16+,18+,20+/m0/s1
InChIKey QGKVIIBXRTYILV-IXIUHKBRSA-N
Molecular Weight 425.890 g/mol
SMILES c12c(n[n](c2)C(=O)c2ccccc2)[C@]2(C[C@@]1([C@]([C@@]2(Sc1ccc(N(=O)=O)cc1)[H])(Cl)[H])[H])[H]
SPLASH splash10-0a4i-0900000000-9e6359e27da5b35d3927
Source of Spectrum KC-0-2738-25
Synonyms 2-Benzoyl-5-endo-chloro-4,5,6,7-tetrahydro-4,7-methano-6-exo-(p-nitrophenylsulfanyl)-2H-indazole 4-Benzoyl-8-chloro-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-dien-9-yl 4-nitrophenyl sulfide 4-Benzoyl-8-chloro-9-[(4-nitrophenyl)sulfanyl]-3,4-diazatricyclo[5.2.1.0(2,6)]deca-2,5-diene
Wiley ID 831428