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5-(3-Oxobutyl)nicotinic acid methyl ester
SpectraBase Compound ID G0ybrVtsNRm
InChI InChI=1S/C11H13NO3/c1-8(13)3-4-9-5-10(7-12-6-9)11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKey BJYGSLORSMLAOE-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FarlpH1fF2E
Name 5-(3-Oxobutyl)nicotinic acid methyl ester
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Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-8(13)3-4-9-5-10(7-12-6-9)11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKey BJYGSLORSMLAOE-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES C(c1cc(cnc1)CCC(C)=O)(=O)OC
SPLASH splash10-01ox-7900000000-1eb9298198c6a65c4109
Source of Spectrum QC-24-1382-4
Synonyms Methyl 5-(3-oxobutyl)nicotinate 5-(3-oxobutyl)-3-pyridinecarboxylic acid methyl ester Methyl 5-(3-oxobutyl)pyridine-3-carboxylate Methyl 5-(3-oxidanylidenebutyl)pyridine-3-carboxylate
Wiley ID 1584158