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3-{[1'-(p-Methylphenyl)sulfonyl]-6'-chlorohexyl}-1H-indazole
SpectraBase Compound ID 801gRkPjgI2
InChI InChI=1S/C20H23ClN2O2S/c1-15-10-12-16(13-11-15)26(24,25)19(9-3-2-6-14-21)20-17-7-4-5-8-18(17)22-23-20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,22,23)
InChIKey VAMVRXUFGCDAOC-UHFFFAOYSA-N
Mol Weight 390.93 g/mol
Molecular Formula C20H23ClN2O2S
Exact Mass 390.116877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mZbJZEAfZA
Name 3-{[1'-(p-Methylphenyl)sulfonyl]-6'-chlorohexyl}-1H-indazole
Alternate Name(s) 3-[6-chloro-1-(4-methylphenyl)sulfonylhexyl]-2H-indazole 3-[6-chloro-1-(p-tolylsulfonyl)hexyl]-2H-indazole 3-[6-chloranyl-1-(4-methylphenyl)sulfonyl-hexyl]-2H-indazole
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Formula C20H23ClN2O2S
InChI InChI=1S/C20H23ClN2O2S/c1-15-10-12-16(13-11-15)26(24,25)19(9-3-2-6-14-21)20-17-7-4-5-8-18(17)22-23-20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,22,23)
InChIKey VAMVRXUFGCDAOC-UHFFFAOYSA-N
Molecular Weight 390.929 g/mol
SMILES [nH]1c2c(c(n1)C(S(c1ccc(cc1)C)(=O)=O)CCCCCCl)cccc2
SPLASH splash10-053r-0910000000-54882621955f3af5ed71
Source of Spectrum U1-2009-3187-6e
Wiley ID 1696981