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4,5-Dihydro-4-(p-chlorophenyl)-6-(N-benzenesulphonyl-1H-indol-3-yl)-2H-indazol-3(3aH)-one
SpectraBase Compound ID 4iNCwnV1vw0
InChI InChI=1S/C27H20ClN3O3S/c28-19-12-10-17(11-13-19)22-14-18(15-24-26(22)27(32)30-29-24)23-16-31(25-9-5-4-8-21(23)25)35(33,34)20-6-2-1-3-7-20/h1-13,15-16,22,26H,14H2,(H,30,32)
InChIKey KTEXRNNHJUIFBC-UHFFFAOYSA-N
Mol Weight 501.99 g/mol
Molecular Formula C27H20ClN3O3S
Exact Mass 501.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cKXGjh5Igj
Name 4,5-Dihydro-4-(p-chlorophenyl)-6-(N-benzenesulphonyl-1H-indol-3-yl)-2H-indazol-3(3aH)-one
Appearance Solid
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Formula C27H20ClN3O3S
InChI InChI=1S/C27H20ClN3O3S/c28-19-12-10-17(11-13-19)22-14-18(15-24-26(22)27(32)30-29-24)23-16-31(25-9-5-4-8-21(23)25)35(33,34)20-6-2-1-3-7-20/h1-13,15-16,22,26H,14H2,(H,30,32)
InChIKey KTEXRNNHJUIFBC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.04.003
Molecular Weight 501.988 g/mol
SMILES N1N=C2C(C1=O)C(CC(=C2)c1c[n](S(c2ccccc2)(=O)=O)c2c1cccc2)c1ccc(cc1)Cl
SPLASH splash10-004i-9000000000-b81eb72ca725754c551d
Source of Spectrum AJC-6-71-13b
Wiley ID 1856995