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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FpeBErnEakz
Name Leflunomide
Source of Sample Cayman Chemical Company
Catalog Number 14860
Lot Number 0450928-20
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 75706-12-6
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N2O2
IUPAC Name 5-Methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
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
Instrument Name Bio-Rad FTS
SMILES N(c1ccc(cc1)C(F)(F)F)C(c1cnoc1C)=O
Source of Spectrum Forensic Spectral Research
Synonyms Arava; Avara; HW 486; SU 101
Technique ATR-Neat