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2-Pyridinebutanoic acid, 3-(methoxycarbonyl)-.alpha.-methyl-, methyl ester
SpectraBase Compound ID Ejhtb0boxgo
InChI InChI=1S/C13H17NO4/c1-9(12(15)17-2)6-7-11-10(13(16)18-3)5-4-8-14-11/h4-5,8-9H,6-7H2,1-3H3
InChIKey LFSFCODSPQUZTP-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 B18FiuDDPiC
Name 2-Pyridinebutanoic acid, 3-(methoxycarbonyl)-.alpha.-methyl-, methyl ester
CAS Registry Number 41173-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-9(12(15)17-2)6-7-11-10(13(16)18-3)5-4-8-14-11/h4-5,8-9H,6-7H2,1-3H3
InChIKey LFSFCODSPQUZTP-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES CC(CCc1c(cccn1)C(=O)OC)C(=O)OC
SPLASH splash10-0gvo-3900000000-c3571f82b82340059874
Source of Spectrum G-38-2136-3
Synonyms Methyl 2-(4-methoxy-3-methyl-4-oxobutyl)nicotinate 2-(4-keto-4-methoxy-3-methyl-butyl)nicotinic acid methyl ester 2-(4-Methoxy-3-methyl-4-oxobutyl)-3-pyridinecarboxylic acid methyl ester Dimethyl wilfordate Methyl 2-(4-methoxy-3-methyl-4-oxidanylidene-butyl)pyridine-3-carboxylate Methyl 2-(4-methoxy-3-methyl-4-oxo-butyl)pyridine-3-carboxylate Wilfordic acid dimethyl ester
Wiley ID 1254456