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2-Pyridinepropanoic acid, 3-carboxy-.alpha.,.beta.-dimethyl-, [S-(R*,R*)]-
SpectraBase Compound ID 2x5y0DYJ82B
InChI InChI=1S/C11H13NO4/c1-6(7(2)10(13)14)9-8(11(15)16)4-3-5-12-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKey HDHRLJMDDHNYDO-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvMpy8dizwf
Name 2-Pyridinepropanoic acid, 3-carboxy-.alpha.,.beta.-dimethyl-, [S-(R*,R*)]-
CAS Registry Number 34437-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-6(7(2)10(13)14)9-8(11(15)16)4-3-5-12-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKey HDHRLJMDDHNYDO-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES OC(c1c(C(C(C(O)=O)C)C)nccc1)=O
SPLASH splash10-0udi-2910000000-979f82aa611e677ec821
Source of Spectrum H-54-2151-7
Synonyms 2-(2-Carboxy-1-methylpropyl)nicotinic acid 2-(3-Methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)pyridine-3-carboxylic acid 2-(4-hydroxy-3-methyl-4-oxobutan-2-yl)pyridine-3-carboxylic acid Evoninic acid 2-(3-carboxybutan-2-yl)-3-pyridinecarboxylic acid 2-(3-carboxybutan-2-yl)pyridine-3-carboxylic acid 2-(2-carboxy-1-methyl-propyl)pyridine-3-carboxylic acid
Wiley ID 1223855