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Diethylmalonic acid, decyl 2-ethylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-ethylphenyl ester
SpectraBase Compound ID 8IOr7xZGGkD
InChI InChI=1S/C25H40O4/c1-5-9-10-11-12-13-14-17-20-28-23(26)25(7-3,8-4)24(27)29-22-19-16-15-18-21(22)6-2/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey BFWOTRQSZZJKOQ-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJ4V7vTo2e3
Name Diethylmalonic acid, decyl 2-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-9-10-11-12-13-14-17-20-28-23(26)25(7-3,8-4)24(27)29-22-19-16-15-18-21(22)6-2/h15-16,18-19H,5-14,17,20H2,1-4H3
InChIKey BFWOTRQSZZJKOQ-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC)C