| SpectraBase Spectrum ID |
3HC9U9ufw0 |
| Name |
Rofecoxib |
| Alternate Name(s) |
Vioxx
4-(4-(methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Molecular Weight |
314.355 g/mol |
| SMILES |
C1(=O)OCC(c2ccc(S(=O)(C)=O)cc2)=C1c1ccccc1 |
| SPLASH |
splash10-056r-1921000000-b60877c616918c7bbde6 |
| Source of Spectrum |
SWG-33-2003-0 |
| Wiley ID |
1809474 |
