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3-Methyl-2-nicotinamido-butanoic acid, methyl ester

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3-Methyl-2-nicotinamido-butanoic acid, methyl ester
SpectraBase Compound ID BKBHDVe6AkY
InChI InChI=1S/C12H16N2O3/c1-8(2)10(12(16)17-3)14-11(15)9-5-4-6-13-7-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey IQIMATWVJXLXIF-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASQ2zGdtVI9
Name 3-Methyl-2-nicotinamido-butanoic acid, methyl ester
Comments reassigned
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Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-8(2)10(12(16)17-3)14-11(15)9-5-4-6-13-7-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey IQIMATWVJXLXIF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.G. Talma, P. Jouin, J.G. De Vries, J. Am. Chem. Soc. 107, 3981 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3