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4-(3-Ethoxy-3-keto-propyl)-6-methyl-nicotinic acid methyl ester
SpectraBase Compound ID AGGu4XshQnZ
InChI InChI=1S/C13H17NO4/c1-4-18-12(15)6-5-10-7-9(2)14-8-11(10)13(16)17-3/h7-8H,4-6H2,1-3H3
InChIKey ZKTDDDRORUTFEP-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 LMnmPDUfgCu
Name 4-(3-Ethoxy-3-keto-propyl)-6-methyl-nicotinic acid methyl ester
Alternate Name(s) 4-(3-Ethoxy-3-oxopropyl)-6-methyl-3-pyridinecarboxylic acid methyl ester Methyl 4-(3-ethoxy-3-oxidanylidene-propyl)-6-methyl-pyridine-3-carboxylate Methyl 4-(3-ethoxy-3-oxo-propyl)-6-methyl-pyridine-3-carboxylate
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Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-4-18-12(15)6-5-10-7-9(2)14-8-11(10)13(16)17-3/h7-8H,4-6H2,1-3H3
InChIKey ZKTDDDRORUTFEP-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES c1(c(cc(nc1)C)CCC(=O)OCC)C(=O)OC
SPLASH splash10-00ke-0950000000-22739899441897f1b623
Source of Spectrum J-58-3163-4
Wiley ID 1254510