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2-Pyridinepropanoic acid, 3-(methoxycarbonyl)-.alpha.,.beta.-dimethyl-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID DyegRZWiIHG
InChI InChI=1S/C13H17NO4/c1-8(9(2)12(15)17-3)11-10(13(16)18-4)6-5-7-14-11/h5-9H,1-4H3
InChIKey BNBBLWWXBKVVOF-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FdOQTPWsa
Name 2-Pyridinepropanoic acid, 3-(methoxycarbonyl)-.alpha.,.beta.-dimethyl-, methyl ester, [S-(R*,R*)]-
CAS Registry Number 35721-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-8(9(2)12(15)17-3)11-10(13(16)18-4)6-5-7-14-11/h5-9H,1-4H3
InChIKey BNBBLWWXBKVVOF-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES CC(c1c(cccn1)C(=O)OC)C(C)C(=O)OC
SPLASH splash10-0wmi-5930000000-9ab9adf9a36f866d95f2
Source of Spectrum G-38-2136-4
Synonyms Methyl 2-(3-methoxy-1,2-dimethyl-3-oxopropyl)nicotinate 2-(3-keto-3-methoxy-1,2-dimethyl-propyl)nicotinic acid methyl ester 2-(4-Methoxy-3-methyl-4-oxobutan-2-yl)-3-pyridinecarboxylic acid methyl ester Dimethyl evoninate Evoninic acid dimethyl ester Methyl 2-(3-methoxy-1,2-dimethyl-3-oxo-propyl)pyridine-3-carboxylate Methyl 2-(4-methoxy-3-methyl-4-oxidanylidene-butan-2-yl)pyridine-3-carboxylate Methyl 2-(4-methoxy-3-methyl-4-oxobutan-2-yl)pyridine-3-carboxylate
Wiley ID 1254457