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Leflunomide
SpectraBase Compound ID 5tIFFhuAWgm
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
Mol Weight 270.21 g/mol
Molecular Formula C12H9F3N2O2
Exact Mass 270.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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