| SpectraBase Spectrum ID |
GVSK6YjVI6i |
| Name |
Valdecoxib AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
356.083078173 u |
| Formula |
C18H16N2O4S |
| InChI |
InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21) |
| InChIKey |
UMBILIGVYYXBRD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
356.396 g/mol |
| Nominal Mass |
356 u |
| Quality |
988 |
| Retention Index |
2916 |
| SMILES |
C=1(C(C2=CC=CC=C2)=NOC1C)C=1C=CC(S(NC(=O)C)(=O)=O)=CC1 |
| SPLASH |
splash10-052f-6692000000-8240a3da5b72360bca89 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-acetyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004231 |
