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Febuxostat
SpectraBase Compound ID GN9OFpprNdI
InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 95lEIgmtGSg
Name Febuxostat
Source of Sample Cayman Chemical Company
Catalog Number 14127
Lot Number 0446547-22
Apodization Function Norton-Beer, medium
CAS Registry Number 144060-53-7
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O3S
IUPAC Name 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid
InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES OC(c1sc(-c2cc(c(cc2)OCC(C)C)C#N)nc1C)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0