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Etoricoxib
SpectraBase Compound ID BubvlFML9TC
InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N
Mol Weight 358.84 g/mol
Molecular Formula C18H15ClN2O2S
Exact Mass 358.054277 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID A2sIdd09sZT
Name Etoricoxib
Source of Sample Cayman Chemical Company
Catalog Number 10091
Lot Number 0485060-4
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 202409-33-4
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClN2O2S
IUPAC Name 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c1c(cnc(c1-c1ccc(cc1)S(=O)(=O)C)-c1cnc(cc1)C)Cl
Source of Spectrum Forensic Spectral Research
Synonyms L-791,456; MK-0663
Technique ATR-Neat