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Diethylmalonic acid, di(2,6-dimethoxyphenyl) ester
SpectraBase Compound ID I5vs8ZwVXEc
InChI InChI=1S/C23H28O8/c1-7-23(8-2,21(24)30-19-15(26-3)11-9-12-16(19)27-4)22(25)31-20-17(28-5)13-10-14-18(20)29-6/h9-14H,7-8H2,1-6H3
InChIKey WHCVATGOQAVFTQ-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mUu5wtx9rn
Name Diethylmalonic acid, di(2,6-dimethoxyphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 432.178417854 u
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-7-23(8-2,21(24)30-19-15(26-3)11-9-12-16(19)27-4)22(25)31-20-17(28-5)13-10-14-18(20)29-6/h9-14H,7-8H2,1-6H3
InChIKey WHCVATGOQAVFTQ-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES COC1=C(C(=CC=C1)OC)OC(C(C(OC1=C(OC)C=CC=C1OC)=O)(CC)CC)=O