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4,4-Bis(ethoxycarbonyl)-5-methoxy-1-cyclopenten-3-one propane-1,3-diyl ketal
SpectraBase Compound ID JaxDorNdAi3
InChI InChI=1S/C13H18O7/c1-16-9-5-6-12(19-7-4-8-20-12)13(9,10(14)17-2)11(15)18-3/h5-6,9H,4,7-8H2,1-3H3
InChIKey NQBSSVUIFIMESG-UHFFFAOYSA-N
Mol Weight 286.28 g/mol
Molecular Formula C13H18O7
Exact Mass 286.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 680xIqqFoOg
Name 4,4-Bis(ethoxycarbonyl)-5-methoxy-1-cyclopenten-3-one propane-1,3-diyl ketal
CAS Registry Number 88442-11-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O7
InChI InChI=1S/C13H18O7/c1-16-9-5-6-12(19-7-4-8-20-12)13(9,10(14)17-2)11(15)18-3/h5-6,9H,4,7-8H2,1-3H3
InChIKey NQBSSVUIFIMESG-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference D.L. Boger, C.E. Brotherton, J. Am. Chem. Soc. 108, 6695 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3