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Diethylmalonic acid, 2-formylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-formylphenyl tetradecyl ester
SpectraBase Compound ID 89hfszIZeKl
InChI InChI=1S/C28H44O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-25-21-18-17-20-24(25)23-29/h17-18,20-21,23H,4-16,19,22H2,1-3H3
InChIKey LORJISMCQZIGHO-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8c0plyOzHIq
Name Diethylmalonic acid, 2-formylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.318874512 u
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-25-21-18-17-20-24(25)23-29/h17-18,20-21,23H,4-16,19,22H2,1-3H3
InChIKey LORJISMCQZIGHO-UHFFFAOYSA-N
Molecular Weight 460.655 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC