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5-n-Butyl-1,3-diphenyl-4-(p-toluenesulfonyl)-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

5-n-Butyl-1,3-diphenyl-4-(p-toluenesulfonyl)-1H-pyrazole
SpectraBase Compound ID Gxzo9RgDjGk
InChI InChI=1S/C26H26N2O2S/c1-3-4-15-24-26(31(29,30)23-18-16-20(2)17-19-23)25(21-11-7-5-8-12-21)27-28(24)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
InChIKey GFSHCSOAQGCKQM-UHFFFAOYSA-N
Mol Weight 430.57 g/mol
Molecular Formula C26H26N2O2S
Exact Mass 430.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 258BMNuvMjv
Name 5-n-Butyl-1,3-diphenyl-4-(p-toluenesulfonyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2S
InChI InChI=1S/C26H26N2O2S/c1-3-4-15-24-26(31(29,30)23-18-16-20(2)17-19-23)25(21-11-7-5-8-12-21)27-28(24)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
InChIKey GFSHCSOAQGCKQM-UHFFFAOYSA-N
Molecular Weight 430.566 g/mol
SMILES c1(S(c2ccc(cc2)C)(=O)=O)c([n](-c2ccccc2)nc1-c1ccccc1)CCCC
SPLASH splash10-001i-0090000000-71c546eea21434b01090
Source of Spectrum J-73-8066-48
Wiley ID 1668705