| SpectraBase Spectrum ID |
DoPW6xmYpk0 |
| Name |
Etoricoxib |
| CAS Registry Number |
202409-33-4 |
| Classification |
Pharmaceutical drug, non steroidal anti-inflammatory drug (NSAID) |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.054276603 u |
| Formula |
C18H15ClN2O2S |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
358.843 g/mol |
| Nominal Mass |
358 u |
| Quality |
860 |
| Retention Index |
2712 |
| SMILES |
C=1(C(C=2C=CC(S(=O)(=O)C)=CC2)=CC(=CN1)Cl)C1=CC=C(N=C1)C |
| SPLASH |
splash10-0a4i-0279000000-492a873b397a3516967a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026094 |
