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METHYL-4-METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE

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METHYL-4-METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE
SpectraBase Compound ID IaLvwEPE2DH
InChI InChI=1S/C13H17NO3/c1-9(11-6-4-5-7-14-11)10(2)12(15)8-13(16)17-3/h4-7,9-10H,8H2,1-3H3
InChIKey QMLGJTQSAYIBPU-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwnPMe8CYZ9
Name METHYL-4-METHYL-3-OXO-5-(2-PYRIDYL)-HEXANOATE
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9(11-6-4-5-7-14-11)10(2)12(15)8-13(16)17-3/h4-7,9-10H,8H2,1-3H3
InChIKey QMLGJTQSAYIBPU-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 235.283 g/mol
Solvent CDCl3
Source File Reference UWMS25484