| SpectraBase Spectrum ID |
8JqTfA1Wg7M |
| Name |
Leflunomide |
| CAS Registry Number |
75706-12-6 |
| Classification |
Pharmaceutical drug, immunosuppressant |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
270.061612025 u |
| Formula |
C12H9F3N2O2 |
| InChI |
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) |
| InChIKey |
VHOGYURTWQBHIL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
270.211 g/mol |
| Nominal Mass |
270 u |
| Quality |
995 |
| Retention Index |
1915 |
| SMILES |
C1(C(NC=2C=CC(C(F)(F)F)=CC2)=O)=C(ON=C1)C |
| SPLASH |
splash10-03k9-3930000000-15d32ffc1c428f02827b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Methyl-4'-(trifluoromethyl)-4-isoxazolecarboxanilide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012072 |
