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Diethylmalonic acid, dodecyl 2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-methoxyphenyl ester
SpectraBase Compound ID Lkm8Byaxms8
InChI InChI=1S/C26H42O5/c1-5-8-9-10-11-12-13-14-15-18-21-30-24(27)26(6-2,7-3)25(28)31-23-20-17-16-19-22(23)29-4/h16-17,19-20H,5-15,18,21H2,1-4H3
InChIKey LJDBFRFDKUQALT-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID grkrf3q990
Name Diethylmalonic acid, dodecyl 2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-5-8-9-10-11-12-13-14-15-18-21-30-24(27)26(6-2,7-3)25(28)31-23-20-17-16-19-22(23)29-4/h16-17,19-20H,5-15,18,21H2,1-4H3
InChIKey LJDBFRFDKUQALT-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC