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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhIx0GQX4p3
Name 4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
Alternate Name(s) 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine 3-Hydroxy-2-methyl-5-methylol-isonicotinic acid 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid 3-Hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxylic acid 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid 4-Pyridoxate 4-Pyridoxic acid 4-Pyridoxinecarboxylic acid 4-Pyridoxinic acid 4-Pyridoxinsaeure 4-Pyridoxylic acid 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid Isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl- Pyridoxic acid BRN 0384006 EINECS 201-440-8 NSC 41814
CAS Registry Number 82-82-6
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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
Molecular Weight 183.163 g/mol
SMILES OC(c1c(c(ncc1CO)C)O)=O
SPLASH splash10-0674-9500000000-ad252b2bb1c7b0aa4b80
Source of Spectrum T-68-1124-0
Wiley ID 18964