| SpectraBase Spectrum ID |
72IubLqnVdH |
| Name |
Rofecoxib |
| CAS Registry Number |
162011-90-7 |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.061280101 u |
| Formula |
C17H14O4S |
| InChI |
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey |
RZJQGNCSTQAWON-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.355 g/mol |
| SMILES |
C1C(c2ccc(S(=O)(C)=O)cc2)=C(c2ccccc2)C(O1)=O |
| SPLASH |
splash10-06vi-3942000000-5612c96dec00ed615e3d |
| 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. |
| 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_7489 |
