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Diethylmalonic acid, 2-methoxyphenyl undecyl ester
SpectraBase Compound ID 9WDDuyj5wnr
InChI InChI=1S/C25H40O5/c1-5-8-9-10-11-12-13-14-17-20-29-23(26)25(6-2,7-3)24(27)30-22-19-16-15-18-21(22)28-4/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey GXWLBYUTPZDQIZ-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6wkpZqWnJ4
Name Diethylmalonic acid, 2-methoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-5-8-9-10-11-12-13-14-17-20-29-23(26)25(6-2,7-3)24(27)30-22-19-16-15-18-21(22)28-4/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey GXWLBYUTPZDQIZ-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC