For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KWzgvTF9wkN
Name Celecoxib
Catalog Number prescription
Accessory DurasamplIR II
CAS Registry Number 169590-42-5
Classification sulfa non-steroidal anti-inflammatory drug
Comments powder from 7767 100 capsule
Compound Type Pure
Copyright Copyright © 2012-2024 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
Technique ATR-Neat (DuraSamplIR II)