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3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid methyl ester

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3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid methyl ester
SpectraBase Compound ID 3KD9XwbHdsy
InChI InChI=1S/C12H16O4/c1-8(13)10(12(15)16-2)7-9-5-3-4-6-11(9)14/h5,10H,3-4,6-7H2,1-2H3
InChIKey ORWOKWSZWLXVSE-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jnz2GwY4HE7
Name 2-Acetyl-3-(cyclohex-2-en-1-on-2-yl)-propanoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(13)10(12(15)16-2)7-9-5-3-4-6-11(9)14/h5,10H,3-4,6-7H2,1-2H3
InChIKey ORWOKWSZWLXVSE-UHFFFAOYSA-N
Literature Reference R. Tamura, H. Katayama, K. Watabe, Tetrahedron 46, 7557 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3