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7,7-Dimethyl-3-oxo-4-propyl-octanoic acid, methyl ester

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7,7-Dimethyl-3-oxo-4-propyl-octanoic acid, methyl ester
SpectraBase Compound ID IwRIGrc6z0o
InChI InChI=1S/C14H26O3/c1-6-7-11(8-9-14(2,3)4)12(15)10-13(16)17-5/h11H,6-10H2,1-5H3
InChIKey PZXWVMVCOMWBQV-UHFFFAOYSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtZVhBfu0sP
Name 7,7-Dimethyl-3-oxo-4-propyl-octanoic acid, methyl ester
CAS Registry Number 104620-40-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-6-7-11(8-9-14(2,3)4)12(15)10-13(16)17-5/h11H,6-10H2,1-5H3
InChIKey PZXWVMVCOMWBQV-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