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4-Pyridoxic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4-Pyridoxic acid
SpectraBase Compound ID BuCuf3jnB8a
InChI InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChIKey HXACOUQIXZGNBF-UHFFFAOYSA-N
Mol Weight 183.16 g/mol
Molecular Formula C8H9NO4
Exact Mass 183.053158 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISW6tE5FIwM
Name 4-Pyridoxic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 287105
CAS Registry Number 82-82-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO4
InChI InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChIKey HXACOUQIXZGNBF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid
Wiley ID SIAL_13CNMR_005450