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3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
SpectraBase Compound ID 2SP6ANvLPFe
InChI InChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h3-5H2,1-2H3,(H,10,11)
InChIKey XGEZXMADLSVPPY-UHFFFAOYSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4ma8VZw9lp
Name 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
CAS Registry Number 4027-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-3-13-9(12)7-4-5-8(11)10-6(7)2/h3-5H2,1-2H3,(H,10,11)
InChIKey XGEZXMADLSVPPY-UHFFFAOYSA-N
Molecular Weight 183.207 g/mol
SMILES N1C(CCC(=C1C)C(=O)OCC)=O
SPLASH splash10-0a4i-9600000000-ff029d1c6c024260c53e
Source of Spectrum AD-0-2532-0
Synonyms Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate 2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester 6-Methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Ethyl 6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Nicotinic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
Wiley ID 1426944