SpectraBase Spectrum ID |
LStLzi6MGZi |
Name |
Leflunomide |
CAS Registry Number |
75706-12-6 |
Classification |
Antirheumatic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
270.061612025 u |
Formula |
C12H9N2O2F3 |
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 |
SMILES |
c1(oncc1C(Nc1ccc(cc1)C(F)(F)F)=O)C |
SPLASH |
splash10-03di-6910000000-64028bc399c48738b560 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_8395 |