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1-ETHOXYCARBONYL-4-OXO-2,5-CYCLOHEXADIEN-1-ESSIGSAEUREETHYLESTER

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1-ETHOXYCARBONYL-4-OXO-2,5-CYCLOHEXADIEN-1-ESSIGSAEUREETHYLESTER
SpectraBase Compound ID 7l2fBHiP6CU
InChI InChI=1S/C13H16O5/c1-3-17-11(15)9-13(12(16)18-4-2)7-5-10(14)6-8-13/h5-8H,3-4,9H2,1-2H3
InChIKey KDELKUBSKVRZJD-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 Aj44u4RLbI5
Name 1-Ethoxycarbonyl-4-oxo-2,5-cyclohexadiene-1-acetic acid, ethyl ester
CAS Registry Number 2808-65-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-17-11(15)9-13(12(16)18-4-2)7-5-10(14)6-8-13/h5-8H,3-4,9H2,1-2H3
InChIKey KDELKUBSKVRZJD-UHFFFAOYSA-N
Literature Reference Liebigs Ann. Chem. 121 (1978).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3