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3-{[1'-(p-Methylphenyl)sulfonyl]nonyl}-1H-indazole
SpectraBase Compound ID AS2Zox8jgLx
InChI InChI=1S/C23H30N2O2S/c1-3-4-5-6-7-8-13-22(23-20-11-9-10-12-21(20)24-25-23)28(26,27)19-16-14-18(2)15-17-19/h9-12,14-17,22H,3-8,13H2,1-2H3,(H,24,25)
InChIKey JKYAOWMCEPIQBQ-UHFFFAOYSA-N
Mol Weight 398.57 g/mol
Molecular Formula C23H30N2O2S
Exact Mass 398.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH8sNyeRVIN
Name 3-{[1'-(p-Methylphenyl)sulfonyl]nonyl}-1H-indazole
Alternate Name(s) 3-[1-(p-tolylsulfonyl)nonyl]-2H-indazole 3-[1-(4-methylphenyl)sulfonylnonyl]-2H-indazole
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Formula C23H30N2O2S
InChI InChI=1S/C23H30N2O2S/c1-3-4-5-6-7-8-13-22(23-20-11-9-10-12-21(20)24-25-23)28(26,27)19-16-14-18(2)15-17-19/h9-12,14-17,22H,3-8,13H2,1-2H3,(H,24,25)
InChIKey JKYAOWMCEPIQBQ-UHFFFAOYSA-N
Molecular Weight 398.565 g/mol
SMILES [nH]1c2c(c(n1)C(S(c1ccc(cc1)C)(=O)=O)CCCCCCCC)cccc2
SPLASH splash10-053r-1900000000-c9a7e5ed25f4384d3405
Source of Spectrum U1-2009-3186-6d
Wiley ID 1696982