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3-HYDROXY-5-OXO-2-(3-OXO-1-BUTENYL)-1-CYCLOPENTENE-1-PROPIONIC ACID,METHYL ESTER

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3-HYDROXY-5-OXO-2-(3-OXO-1-BUTENYL)-1-CYCLOPENTENE-1-PROPIONIC ACID,METHYL ESTER
SpectraBase Compound ID FjnwrVzGr3L
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
InChIKey CFPXEPZCTUCFRT-UHFFFAOYSA-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 BaeS0TTCpa4
Name 3-HYDROXY-5-OXO-2-(3-OXO-1-BUTENYL)-1-CYCLOPENTENE-1-PROPIONIC ACID,METHYL ESTER
Source of Sample D. M. Rackham, S. E. Cowdrey Org. Magn. Resonance 9, 160(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
InChIKey CFPXEPZCTUCFRT-UHFFFAOYSA-N
Molecular Weight 252.27
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 1-CYCLOPENTENE-1-PROPIONIC ACID, 3-HYDROXY-5-OXO-2-/3-OXO-1-BUTENYL/-, METHYL ESTER