| SpectraBase Spectrum ID |
3xp4skNs12 |
| Name |
Etoricoxib |
| CAS Registry Number |
202409-33-4 |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.054276603 u |
| Formula |
C18H15N2O2ClS |
| 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 |
| SMILES |
c1nc(-c2ccc(nc2)C)c(cc1Cl)-c1ccc(cc1)S(=O)(C)=O |
| SPLASH |
splash10-0a4i-1259000000-1f1a0ede2b25af9ba1f9 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G P U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7447 |
