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3-[3-hydroxy-5-keto-2-[(E)-3-ketobut-1-enyl]-1-cyclopentenyl]propionic acid methyl ester

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3-[3-hydroxy-5-keto-2-[(E)-3-ketobut-1-enyl]-1-cyclopentenyl]propionic acid methyl ester
SpectraBase Compound ID CT83y4u6RLe
InChI InChI=1S/C13H16O5/c1-8(14)3-4-9-10(5-6-13(17)18-2)12(16)7-11(9)15/h3-4,11,15H,5-7H2,1-2H3/b4-3+
InChIKey CFPXEPZCTUCFRT-ONEGZZNKSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8chBHO2KQzU
Name Methyl 3-(3-hydroxy-5-oxo-(3-oxo-1-butenyl)-1-cyclopentenyl)-propionate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-8(14)3-4-9-10(5-6-13(17)18-2)12(16)7-11(9)15/h3-4,11,15H,5-7H2,1-2H3/b4-3+
InChIKey CFPXEPZCTUCFRT-ONEGZZNKSA-N
Instrument Name Bruker WH-90
Literature Reference D.M. Rackham, S.E. Cowdrey, Org. Magn. Resonance 9, 160 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3