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4-(3-Ethoxy-3-keto-propyl)-5-methyl-nicotinic acid methyl ester
SpectraBase Compound ID JGZn7u7WH0n
InChI InChI=1S/C13H17NO4/c1-4-18-12(15)6-5-10-9(2)7-14-8-11(10)13(16)17-3/h7-8H,4-6H2,1-3H3
InChIKey FJZIHTZHDAFIHV-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 C4bFwELXRKB
Name 4-(3-Ethoxy-3-keto-propyl)-5-methyl-nicotinic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-4-18-12(15)6-5-10-9(2)7-14-8-11(10)13(16)17-3/h7-8H,4-6H2,1-3H3
InChIKey FJZIHTZHDAFIHV-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES c1(c(CCC(=O)OCC)c(C)cnc1)C(=O)OC
SPLASH splash10-03dj-0910000000-20f057b1e7ec881a62ba
Source of Spectrum J-58-3163-4
Synonyms 4-(3-Ethoxy-3-oxopropyl)-5-methyl-3-pyridinecarboxylic acid methyl ester Methyl 4-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-pyridine-3-carboxylate Methyl 4-(3-ethoxy-3-oxo-propyl)-5-methyl-pyridine-3-carboxylate
Wiley ID 1254509