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5-n-Butyl-4-[p-(hydroxymethyl)benzenesulfonyl]-1,3-diphenyl-1H-pyrazole
SpectraBase Compound ID J6JAtQw3YII
InChI InChI=1S/C26H26N2O3S/c1-2-3-14-24-26(32(30,31)23-17-15-20(19-29)16-18-23)25(21-10-6-4-7-11-21)27-28(24)22-12-8-5-9-13-22/h4-13,15-18,29H,2-3,14,19H2,1H3
InChIKey QNXRXSYTVHJKSK-UHFFFAOYSA-N
Mol Weight 446.57 g/mol
Molecular Formula C26H26N2O3S
Exact Mass 446.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMZVQghiSfJ
Name 5-n-Butyl-4-[p-(hydroxymethyl)benzenesulfonyl]-1,3-diphenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O3S
InChI InChI=1S/C26H26N2O3S/c1-2-3-14-24-26(32(30,31)23-17-15-20(19-29)16-18-23)25(21-10-6-4-7-11-21)27-28(24)22-12-8-5-9-13-22/h4-13,15-18,29H,2-3,14,19H2,1H3
InChIKey QNXRXSYTVHJKSK-UHFFFAOYSA-N
Molecular Weight 446.565 g/mol
SMILES OCc1ccc(S(c2c([n](-c3ccccc3)nc2-c2ccccc2)CCCC)(=O)=O)cc1
SPLASH splash10-001i-0090000000-a544041ea47f41440a69
Source of Spectrum J-73-8066-50
Wiley ID 1668704