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4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-
SpectraBase Compound ID E4KHgxMcXNs
InChI InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
InChIKey JTWNWNJMNSJYDL-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ4XQa4nsCx
Name 4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-
CAS Registry Number 7442-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
InChIKey JTWNWNJMNSJYDL-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES OC(c1c(cnc(c1O)C)C=O)=O
SPLASH splash10-0019-7900000000-9b06df5898be61de7d04
Source of Spectrum T-68-1054-0
Synonyms 5-Formyl-3-hydroxy-2-methylisonicotinic acid 5-formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid 5-formyl-3-hydroxy-2-methyl-pyridine-4-carboxylic acid 5-Methanoyl-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid Isonicotinic acid, 5-formyl-3-hydroxy-2-methyl- 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
Wiley ID 18376