John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Cc94oYiw365 SpectraBase Spectrum ID=11A05rAQPQw

(accessed ).
QIZFMIXTHKTRJG-UHFFFAOYSA-N
SpectraBase Compound ID Cc94oYiw365
InChI InChI=1S/C8H14O3/c1-6(4-7(2)9)5-8(10)11-3/h6H,4-5H2,1-3H3
InChIKey QIZFMIXTHKTRJG-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 11A05rAQPQw
Name 3-Methyl-5-oxo-hexanoic acid, methyl ester
CAS Registry Number 89393-67-9
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(4-7(2)9)5-8(10)11-3/h6H,4-5H2,1-3H3
InChIKey QIZFMIXTHKTRJG-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
SpectraBase Batch ID FOnEgqPnA9i