| SpectraBase Spectrum ID |
8HMwl7yndDc |
| Name |
Celecoxib TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
453.115409156 u |
| Formula |
C20H22F3N3O2SSi |
| InChI |
InChI=1S/C20H22F3N3O2SSi/c1-14-5-7-15(8-6-14)18-13-19(20(21,22)23)25-26(18)16-9-11-17(12-10-16)29(24,27)28-30(2,3)4/h5-13,24H,1-4H3 |
| InChIKey |
FMQZDBCVHRHMOZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
453.555 g/mol |
| Nominal Mass |
453 u |
| Quality |
999 |
| Retention Index |
3422 |
| SMILES |
C=1(N(N=C(C1)C(F)(F)F)C1=CC=C(S(O[Si](C)(C)C)(=N)=O)C=C1)C=1C=CC(=CC1)C |
| SPLASH |
splash10-000i-2221900000-296db7303f8d9a5486d5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(trimethylsilyl)benzenesulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033717 |
