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Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester
SpectraBase Compound ID 45nvqOQCiBv
InChI InChI=1S/C32H52F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-30(35)32(5-2,6-3)31(36)38-26-27-22-23-28(33)29(34)25-27/h22-23,25H,4-21,24,26H2,1-3H3
InChIKey QBBHCSVTCXGJNV-UHFFFAOYSA-N
Mol Weight 538.8 g/mol
Molecular Formula C32H52F2O4
Exact Mass 538.383366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J09xB6X6rQ8
Name Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.383366476 u
Formula C32H52F2O4
InChI InChI=1S/C32H52F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-30(35)32(5-2,6-3)31(36)38-26-27-22-23-28(33)29(34)25-27/h22-23,25H,4-21,24,26H2,1-3H3
InChIKey QBBHCSVTCXGJNV-UHFFFAOYSA-N
Molecular Weight 538.761 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC