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Methyl 4-(2-methyl-1-propyl)-3-oxohept-6-enoate

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Methyl 4-(2-methyl-1-propyl)-3-oxohept-6-enoate
SpectraBase Compound ID AmUNBvurhLX
InChI InChI=1S/C12H20O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h5,9-10H,1,6-8H2,2-4H3
InChIKey HXOXCGLAORLREF-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdEFm2E1N9e
Name 4-(2-Methyl-propyl)-3-oxo-6-heptenoic acid, methyl ester
CAS Registry Number 104620-25-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h5,9-10H,1,6-8H2,2-4H3
InChIKey HXOXCGLAORLREF-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