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Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester
SpectraBase Compound ID 7aUPxCcQm58
InChI InChI=1S/C26H40F2O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-24(29)26(5-2,6-3)25(30)32-20-21-16-17-22(27)23(28)19-21/h16-17,19H,4-15,18,20H2,1-3H3
InChIKey WXPAJBBHOZKPHJ-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H40F2O4
Exact Mass 454.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdTkgX4bEVw
Name Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.289466090 u
Formula C26H40F2O4
InChI InChI=1S/C26H40F2O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-24(29)26(5-2,6-3)25(30)32-20-21-16-17-22(27)23(28)19-21/h16-17,19H,4-15,18,20H2,1-3H3
InChIKey WXPAJBBHOZKPHJ-UHFFFAOYSA-N
Molecular Weight 454.599 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC