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3-(2-[7-Carboxy-3-oxo-1-heptenyl]-3-hydroxy-5-oxo-1-cyclopentenyl)-propionic acid

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3-(2-[7-Carboxy-3-oxo-1-heptenyl]-3-hydroxy-5-oxo-1-cyclopentenyl)-propionic acid
SpectraBase Compound ID 9s6mz461LOR
InChI InChI=1S/C16H20O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h5-6,13,18H,1-4,7-9H2,(H,20,21)(H,22,23)/b6-5+
InChIKey GUPCBYMJUPUIEK-AATRIKPKSA-N
Mol Weight 324.33 g/mol
Molecular Formula C16H20O7
Exact Mass 324.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQX6310bCiG
Name 3-(2-[7-Carboxy-3-oxo-1-heptenyl]-3-hydroxy-5-oxo-1-cyclopentenyl)-propionic acid
CAS Registry Number 70897-24-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20O7
InChI InChI=1S/C16H20O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h5-6,13,18H,1-4,7-9H2,(H,20,21)(H,22,23)/b6-5+
InChIKey GUPCBYMJUPUIEK-AATRIKPKSA-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