| SpectraBase Spectrum ID |
DnU1CoVZWcq |
| Name |
Celecoxib AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
423.086447047 u |
| Formula |
C19H16F3N3O3S |
| InChI |
InChI=1S/C19H16F3N3O3S/c1-12-3-5-14(6-4-12)17-11-18(19(20,21)22)23-25(17)15-7-9-16(10-8-15)29(27,28)24-13(2)26/h3-11H,1-2H3,(H,24,26) |
| InChIKey |
AIXYDGRTMBAPLW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
423.410 g/mol |
| Nominal Mass |
423 u |
| Quality |
943 |
| Retention Index |
3285 |
| SMILES |
C=1(N(N=C(C1)C(F)(F)F)C=1C=CC(S(NC(=O)C)(=O)=O)=CC1)C1=CC=C(C=C1)C |
| SPLASH |
splash10-0gb9-1239100000-aa8d29635a9643d0fef4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-acetyl-4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000490 |
