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2-Acetyl-3-(3-methyl-cyclohex-2-en-1-on-2-yl)-propanoic acid, methyl ester

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2-Acetyl-3-(3-methyl-cyclohex-2-en-1-on-2-yl)-propanoic acid, methyl ester
SpectraBase Compound ID IaMpYNb2eTo
InChI InChI=1S/C13H18O4/c1-8-5-4-6-12(15)10(8)7-11(9(2)14)13(16)17-3/h11H,4-7H2,1-3H3
InChIKey FIOSQTZMNFEEDT-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jUIBjU0AAi
Name 2-Acetyl-3-(3-methyl-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 C13H18O4
InChI InChI=1S/C13H18O4/c1-8-5-4-6-12(15)10(8)7-11(9(2)14)13(16)17-3/h11H,4-7H2,1-3H3
InChIKey FIOSQTZMNFEEDT-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