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Celecoxib

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 13 MS (GC)

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 42LSEzxLDNR
Name Celecoxib
Source of Sample The United States Pharmacopeial Convention, Inc.
Catalog Number 1098504
Lot Number F0L037
Accessory DurasamplIR II
CAS Registry Number 169590-42-5
Classification sulfonamide nonsteroidal anti-inflammatory drug
Copyright Copyright © 2014-2024 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
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Celebrex; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Technique ATR-Neat (DuraSamplIR II)