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Celecoxib
SpectraBase Compound ID 9doZ2fKc5cE
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N
Mol Weight 381.37 g/mol
Molecular Formula C17H14F3N3O2S
Exact Mass 381.075882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lTXua8haFb
Name 4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N3O2S
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.07.0367
Molecular Weight 381.373 g/mol
SMILES NS(c1ccc(cc1)-[n]1c(cc(n1)C(F)(F)F)-c1ccc(cc1)C)(=O)=O
SPLASH splash10-001i-0149000000-4179a05b7df4098844ee
Source of Spectrum Marcio M. Lobo, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2015.07.0367
Wiley ID 1815386