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Diethylmalonic acid, eicosyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, eicosyl pentafluorobenzyl ester
SpectraBase Compound ID 7PmQhx0v8Yf
InChI InChI=1S/C34H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42-32(40)34(5-2,6-3)33(41)43-25-26-27(35)29(37)31(39)30(38)28(26)36/h4-25H2,1-3H3
InChIKey AMDKEMPLTLFFGX-UHFFFAOYSA-N
Mol Weight 620.8 g/mol
Molecular Formula C34H53F5O4
Exact Mass 620.386401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpkGzLIVqUJ
Name Diethylmalonic acid, eicosyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 620.386400998 u
Formula C34H53F5O4
InChI InChI=1S/C34H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42-32(40)34(5-2,6-3)33(41)43-25-26-27(35)29(37)31(39)30(38)28(26)36/h4-25H2,1-3H3
InChIKey AMDKEMPLTLFFGX-UHFFFAOYSA-N
Molecular Weight 620.786 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC