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Methyl 2-methyl-5-oxohexanoate
SpectraBase Compound ID EpND77R45Wm
InChI InChI=1S/C8H14O3/c1-6(8(10)11-3)4-5-7(2)9/h6H,4-5H2,1-3H3
InChIKey LRNMVXZETXAXKA-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIaCRc8NyAc
Name 2-Methyl-5-oxo-hexanoic acid, methyl ester
CAS Registry Number 38872-30-9
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Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(8(10)11-3)4-5-7(2)9/h6H,4-5H2,1-3H3
InChIKey LRNMVXZETXAXKA-UHFFFAOYSA-N
Literature Reference L.S. Hegedus, W.H. Darlington, J. Am. Chem. Soc. 102, 4980 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3