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Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester

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Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester
SpectraBase Compound ID CPLQyLIWSVc
InChI InChI=1S/C12H22O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h9-10H,5-8H2,1-4H3
InChIKey KQAZOENAKDGJAY-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZVG8pJyKO7
Name 6-Methyl-3-oxo-4-propyl-heptanoic acid, methyl ester
CAS Registry Number 104620-07-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h9-10H,5-8H2,1-4H3
InChIKey KQAZOENAKDGJAY-UHFFFAOYSA-N
Literature Reference D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported