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METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE

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METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE
SpectraBase Compound ID D31daSw9X84
InChI InChI=1S/C12H15NO3/c1-9(11-5-3-4-6-13-11)7-10(14)8-12(15)16-2/h3-6,9H,7-8H2,1-2H3
InChIKey XTIJNASUIOWXLP-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIT79yYqD9h
Name METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-9(11-5-3-4-6-13-11)7-10(14)8-12(15)16-2/h3-6,9H,7-8H2,1-2H3
InChIKey XTIJNASUIOWXLP-UHFFFAOYSA-N
Literature Reference Author E.I.KOSTIK,A.ABIKO,A.OKU
Literature Reference Citation J.ORG.CHEM.,66,1638(2001)
Literature Reference DOI 10.1021/jo001162g
Molecular Weight 221.256 g/mol
Solvent CDCl3
Source File Reference UWMS25483