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Methyl 4-(2-methyl-1-propyl)-3-oxooct-7-enoate

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Methyl 4-(2-methyl-1-propyl)-3-oxooct-7-enoate
SpectraBase Compound ID JetVQcTzkaj
InChI InChI=1S/C13H22O3/c1-5-6-7-11(8-10(2)3)12(14)9-13(15)16-4/h5,10-11H,1,6-9H2,2-4H3
InChIKey HBJWVCNMBCIHEY-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LomqTn9dnaw
Name 4-(2-Methyl-propyl)-3-oxo-7-octenoic acid, methyl ester
CAS Registry Number 104620-19-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-5-6-7-11(8-10(2)3)12(14)9-13(15)16-4/h5,10-11H,1,6-9H2,2-4H3
InChIKey HBJWVCNMBCIHEY-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