Celecoxib
Compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 13 MS (GC)
| 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 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-2774-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Marcio M. Lobo, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2015.07.0367 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EMC-102-149-6c |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | prescription |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The United States Pharmacopeial Convention, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 1098504 |
| Copyright | Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The United States Pharmacopeial Convention, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 1098504 |
- 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
- Celebrex
- 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
- 4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
- benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
1-(PARA-NITROPHENYL)-5-(PARA-METHOXYPHENYL)-3-TRIFLUOROMETHYL-PYRAZOLE
1,5-BIS-(PARA-NITROPHENYL)-3-TRIFLUOROMETHYL-PYRAZOLE
3-(1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridine
3,5-bis(4-chlorophenyl)-1-(4-ethylphenyl)pyrazole
3,5-bis(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazole
1,2,5-Tri-(4-anisyl)-1H-pyrazole
1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
4-(3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
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The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
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The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.