| SpectraBase Spectrum ID |
BQnpcbT2UXS |
| Name |
Etoricoxib-M (HO-) AC |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.059755905 u |
| Formula |
C20H17N2O4ClS |
| InChI |
InChI=1S/C20H17ClN2O4S/c1-13(24)27-12-17-6-3-15(10-22-17)20-19(9-16(21)11-23-20)14-4-7-18(8-5-14)28(2,25)26/h3-11H,12H2,1-2H3 |
| InChIKey |
QTCQOTIORPUPRO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.879 g/mol |
| SMILES |
c1c(Cl)cc(-c2ccc(cc2)S(=O)(C)=O)c(-c2cnc(cc2)COC(C)=O)n1 |
| SPLASH |
splash10-00xr-1389300000-51cc5a2245e6f58b1880 |
| 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: 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_7883 |
