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Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester
SpectraBase Compound ID EZu2nX5Foxh
InChI InChI=1S/C30H48F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-28(33)30(5-2,6-3)29(34)36-24-25-20-21-26(31)27(32)23-25/h20-21,23H,4-19,22,24H2,1-3H3
InChIKey KKPDHHKAWLEZSP-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C30H48F2O4
Exact Mass 510.352066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UnVXt1UrFI
Name Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.352066348 u
Formula C30H48F2O4
InChI InChI=1S/C30H48F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-28(33)30(5-2,6-3)29(34)36-24-25-20-21-26(31)27(32)23-25/h20-21,23H,4-19,22,24H2,1-3H3
InChIKey KKPDHHKAWLEZSP-UHFFFAOYSA-N
Molecular Weight 510.707 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC