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3-(3-Hydroxy-5-oxo-(3-oxo-1-butenyl)-1-cyclopentenyl)-propionic acid

View entire compound with spectra: 1 NMR

3-(3-Hydroxy-5-oxo-(3-oxo-1-butenyl)-1-cyclopentenyl)-propionic acid
SpectraBase Compound ID Eob9vzgZ3r9
InChI InChI=1S/C12H14O5/c1-7(13)2-3-8-9(4-5-12(16)17)11(15)6-10(8)14/h2-3,10,14H,4-6H2,1H3,(H,16,17)/b3-2+
InChIKey XAILIAIXAQTKEK-NSCUHMNNSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IM23qEgP1sF
Name 3-(3-Hydroxy-5-oxo-(3-oxo-1-butenyl)-1-cyclopentenyl)-propionic acid
CAS Registry Number 64865-99-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-7(13)2-3-8-9(4-5-12(16)17)11(15)6-10(8)14/h2-3,10,14H,4-6H2,1H3,(H,16,17)/b3-2+
InChIKey XAILIAIXAQTKEK-NSCUHMNNSA-N
Instrument Name Bruker WH-90
Literature Reference D.M. Rackham, S.E. Cowdrey, Org. Magn. Resonance 9, 160 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O