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2-Methyl-6-oxoheptanoic Acid
SpectraBase Compound ID 2OeUfjwy97I
InChI InChI=1S/C8H14O3/c1-6(8(10)11)4-3-5-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey SCTKRNGYRPVNQJ-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 7tgYGWuC41a
Name 2-Methyl-6-oxo-heptanoic acid
CAS Registry Number 2570-68-5
Comments C6 AT 203.82 IS CHANGED TO 208.82 PPM (A.H.)
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Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(8(10)11)4-3-5-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey SCTKRNGYRPVNQJ-UHFFFAOYSA-N
Literature Reference G.A. Molander, J.B. Etter, P.W.Zinke, J. Am. Chem. Soc. 109, 453 (1987).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3