| SpectraBase Spectrum ID |
HmXQnc2rSVn |
| Name |
Valdecoxib |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
10006120 |
| Lot Number |
121254-156843 |
| CAS Registry Number |
181695-72-7 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14N2O3S |
| IUPAC Name |
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide |
| InChI |
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
| InChIKey |
LNPDTQAFDNKSHK-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1002 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
NS(c1ccc(cc1)-c1c(onc1-c1ccccc1)C)(=O)=O |
| Scans Performed |
2112 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Bextra |
| Technique |
FT-Raman |
