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Diethylmalonic acid, 5-methyl-2-methoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl tridecyl ester
SpectraBase Compound ID HXmdpAK40md
InChI InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-32-26(29)28(7-2,8-3)27(30)33-25-22-23(4)19-20-24(25)31-5/h19-20,22H,6-18,21H2,1-5H3
InChIKey IVNWXVSITKSSDT-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 IRB76hflZM6
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-32-26(29)28(7-2,8-3)27(30)33-25-22-23(4)19-20-24(25)31-5/h19-20,22H,6-18,21H2,1-5H3
InChIKey IVNWXVSITKSSDT-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O