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O7-(2-HYDROXYETHYL)-O1-METHYL-(3E)-2,5-DIMETHYL-3-HEPTENEDIOATE;ISOMER-#1
SpectraBase Compound ID BLaewR1eEpH
InChI InChI=1S/C12H20O5/c1-9(8-11(14)17-7-6-13)4-5-10(2)12(15)16-3/h4-5,9-10,13H,6-8H2,1-3H3/b5-4+
InChIKey GPBZPIVDEIHVGK-SNAWJCMRSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGpw5YEHfj5
Name O7-(2-HYDROXYETHYL)-O1-METHYL-(3E)-2,5-DIMETHYL-3-HEPTENEDIOATE;ISOMER-#2
CAS Registry Number 127309-56-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-9(8-11(14)17-7-6-13)4-5-10(2)12(15)16-3/h4-5,9-10,13H,6-8H2,1-3H3/b5-4+
InChIKey GPBZPIVDEIHVGK-SNAWJCMRSA-N
Literature Reference Author U.GRUSECK,M.HEUSCHMANN
Literature Reference Citation CHEM.BER.,123,1911(1990)
Literature Reference DOI 10.1002/cber.19901230925
Molecular Weight 244.288 g/mol
Solvent CDCl3
Source File Reference UWED10424