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Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester
SpectraBase Compound ID 3itHmrfwE5E
InChI InChI=1S/C25H38F2O4/c1-4-7-8-9-10-11-12-13-14-17-30-23(28)25(5-2,6-3)24(29)31-19-20-15-16-21(26)22(27)18-20/h15-16,18H,4-14,17,19H2,1-3H3
InChIKey YCGQUGOAGWHWSB-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C25H38F2O4
Exact Mass 440.273816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcaJmxvWtSO
Name Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.273816026 u
Formula C25H38F2O4
InChI InChI=1S/C25H38F2O4/c1-4-7-8-9-10-11-12-13-14-17-30-23(28)25(5-2,6-3)24(29)31-19-20-15-16-21(26)22(27)18-20/h15-16,18H,4-14,17,19H2,1-3H3
InChIKey YCGQUGOAGWHWSB-UHFFFAOYSA-N
Molecular Weight 440.572 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC)C