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2-[4-(METHOXYMETHYL)-CYCLOHEXA-2,5-DIENYL]-MALONIC-ACID-DIMETHYL-ESTER
SpectraBase Compound ID 8kJYaEeQA61
InChI InChI=1S/C13H18O5/c1-16-8-9-4-6-10(7-5-9)11(12(14)17-2)13(15)18-3/h4-7,9-11H,8H2,1-3H3/t9-,10+
InChIKey FPZUIIOTNVHEMG-AOOOYVTPSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5WuMtlnUMJ
Name 2-[4-(METHOXYMETHYL)-CYCLOHEXA-2,5-DIENYL]-MALONIC-ACID-DIMETHYL-ESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-16-8-9-4-6-10(7-5-9)11(12(14)17-2)13(15)18-3/h4-7,9-11H,8H2,1-3H3/t9-,10+
InChIKey FPZUIIOTNVHEMG-AOOOYVTPSA-N
Literature Reference Author F.DING,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,13752(2004)
Literature Reference DOI 10.1021/ja047108p
Molecular Weight 254.283 g/mol
Sample ID 36739
Solvent CDCl3