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Diethylmalonic acid, 2-methoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methoxyphenyl tridecyl ester
SpectraBase Compound ID BQiOXBHK6h9
InChI InChI=1S/C27H44O5/c1-5-8-9-10-11-12-13-14-15-16-19-22-31-25(28)27(6-2,7-3)26(29)32-24-21-18-17-20-23(24)30-4/h17-18,20-21H,5-16,19,22H2,1-4H3
InChIKey SYEVPIMHDKYTHW-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Zit4VWxDvu
Name Diethylmalonic acid, 2-methoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-5-8-9-10-11-12-13-14-15-16-19-22-31-25(28)27(6-2,7-3)26(29)32-24-21-18-17-20-23(24)30-4/h17-18,20-21H,5-16,19,22H2,1-4H3
InChIKey SYEVPIMHDKYTHW-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC