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3-{[1'-(p-Methylphenyl)sulfonyl]hexyl}-1H-indazole
SpectraBase Compound ID 2PYRkpA3CfE
InChI InChI=1S/C20H24N2O2S/c1-3-4-5-10-19(20-17-8-6-7-9-18(17)21-22-20)25(23,24)16-13-11-15(2)12-14-16/h6-9,11-14,19H,3-5,10H2,1-2H3,(H,21,22)
InChIKey XOYSHJHHGFIMFW-UHFFFAOYSA-N
Mol Weight 356.48 g/mol
Molecular Formula C20H24N2O2S
Exact Mass 356.155849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LGlEKR77GD
Name 3-{[1'-(p-Methylphenyl)sulfonyl]hexyl}-1H-indazole
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Formula C20H24N2O2S
InChI InChI=1S/C20H24N2O2S/c1-3-4-5-10-19(20-17-8-6-7-9-18(17)21-22-20)25(23,24)16-13-11-15(2)12-14-16/h6-9,11-14,19H,3-5,10H2,1-2H3,(H,21,22)
InChIKey XOYSHJHHGFIMFW-UHFFFAOYSA-N
Molecular Weight 356.484 g/mol
SMILES [nH]1c2c(c(n1)C(S(c1ccc(cc1)C)(=O)=O)CCCCC)cccc2
SPLASH splash10-004i-2900000000-c1f70373ad4e0f4742c8
Source of Spectrum U1-2009-3186-6b
Synonyms 3-[1-(p-tolylsulfonyl)hexyl]-2H-indazole 3-[1-(4-methylphenyl)sulfonylhexyl]-2H-indazole
Wiley ID 1696984