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Diethylmalonic acid, 2-methoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methoxyphenyl tetradecyl ester
SpectraBase Compound ID 8DIWf54785W
InChI InChI=1S/C28H46O5/c1-5-8-9-10-11-12-13-14-15-16-17-20-23-32-26(29)28(6-2,7-3)27(30)33-25-22-19-18-21-24(25)31-4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey ZKDCMDMLRUYIIM-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgpZUPl8PP0
Name Diethylmalonic acid, 2-methoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-5-8-9-10-11-12-13-14-15-16-17-20-23-32-26(29)28(6-2,7-3)27(30)33-25-22-19-18-21-24(25)31-4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey ZKDCMDMLRUYIIM-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC