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Diethylmalonic acid, dodecyl 2-formylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-formylphenyl ester
SpectraBase Compound ID BCokJL699mH
InChI InChI=1S/C26H40O5/c1-4-7-8-9-10-11-12-13-14-17-20-30-24(28)26(5-2,6-3)25(29)31-23-19-16-15-18-22(23)21-27/h15-16,18-19,21H,4-14,17,20H2,1-3H3
InChIKey ZDRIZTCWPOFZKI-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jK4qjXfN2i
Name Diethylmalonic acid, dodecyl 2-formylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.287574383 u
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-4-7-8-9-10-11-12-13-14-17-20-30-24(28)26(5-2,6-3)25(29)31-23-19-16-15-18-22(23)21-27/h15-16,18-19,21H,4-14,17,20H2,1-3H3
InChIKey ZDRIZTCWPOFZKI-UHFFFAOYSA-N
Molecular Weight 432.601 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC