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5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfenyl)-2-(N-phenylsulfenyl)-2H-indazole
SpectraBase Compound ID 2VRpnAZoHhy
InChI InChI=1S/C21H17ClN4O3S/c22-17-10-15-19-16(11-25(24-19)21(27)23-12-4-2-1-3-5-12)18(17)20(15)30-14-8-6-13(7-9-14)26(28)29/h1-9,11,15,17-18,20H,10H2,(H,23,27)/t15-,17+,18-,20-/m0/s1
InChIKey UTGUCBWKOWVQLH-NFBUACBFSA-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 EzlPDwtoDSq
Name 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenylsulfenyl)-2-(N-phenylsulfenyl)-2H-indazole
Alternate Name(s) 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(p-nitrophenyl-sulfanyl)-2-(N-phenylcarbonyl)-2H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4O3S
InChI InChI=1S/C21H17ClN4O3S/c22-17-10-15-19-16(11-25(24-19)21(27)23-12-4-2-1-3-5-12)18(17)20(15)30-14-8-6-13(7-9-14)26(28)29/h1-9,11,15,17-18,20H,10H2,(H,23,27)/t15-,17+,18-,20-/m0/s1
InChIKey UTGUCBWKOWVQLH-NFBUACBFSA-N
Molecular Weight 440.905 g/mol
SMILES N(C([n]1cc2c(n1)[C@]1([C@@]([C@@]2([C@@](C1)(Cl)[H])[H])(Sc1ccc([N+]([O-])=O)cc1)[H])[H])=O)c1ccccc1
SPLASH splash10-014i-0901000000-e5ebfc2e7d6f68b3a0ca
Source of Spectrum KC-0-2737-21
Wiley ID 831431