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

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Heptanoic acid, 6-methyl-3-oxo-, methyl ester
SpectraBase Compound ID HpSswnFFaKZ
InChI InChI=1S/C9H16O3/c1-7(2)4-5-8(10)6-9(11)12-3/h7H,4-6H2,1-3H3
InChIKey OYOAQGPOQKYOMS-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZGMPrVM6k1
Name 6-Methyl-3-oxo-heptanoic acid, methyl ester
CAS Registry Number 104214-14-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(2)4-5-8(10)6-9(11)12-3/h7H,4-6H2,1-3H3
InChIKey OYOAQGPOQKYOMS-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