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3-{[1'-(p-Methylphenyl)sulfonyl]propyl}-1H-indazole
SpectraBase Compound ID 1pgYJmDk00x
InChI InChI=1S/C17H18N2O2S/c1-3-16(17-14-6-4-5-7-15(14)18-19-17)22(20,21)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3,(H,18,19)
InChIKey KGDKOWWKADZJIJ-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C17H18N2O2S
Exact Mass 314.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAVRFv3zDYV
Name 3-{[1'-(p-Methylphenyl)sulfonyl]propyl}-1H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O2S
InChI InChI=1S/C17H18N2O2S/c1-3-16(17-14-6-4-5-7-15(14)18-19-17)22(20,21)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3,(H,18,19)
InChIKey KGDKOWWKADZJIJ-UHFFFAOYSA-N
Molecular Weight 314.403 g/mol
SMILES [nH]1c2c(c(n1)C(S(c1ccc(cc1)C)(=O)=O)CC)cccc2
SPLASH splash10-0a4i-1900000000-93fcc62673a99b245dae
Source of Spectrum U1-2009-3186-6a
Synonyms 3-[1-(p-tolylsulfonyl)propyl]-2H-indazole 3-[1-(4-methylphenyl)sulfonylpropyl]-2H-indazole
Wiley ID 1696985