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Diethylmalonic acid, pentadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, pentadecyl pentafluorophenyl ester
SpectraBase Compound ID Iccixf0Pb0f
InChI InChI=1S/C28H41F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-26(34)28(5-2,6-3)27(35)37-25-23(32)21(30)20(29)22(31)24(25)33/h4-19H2,1-3H3
InChIKey FZYRIWICTLRZLS-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C28H41F5O4
Exact Mass 536.292501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEhENHr4gVx
Name Diethylmalonic acid, pentadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.292500611 u
Formula C28H41F5O4
InChI InChI=1S/C28H41F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-26(34)28(5-2,6-3)27(35)37-25-23(32)21(30)20(29)22(31)24(25)33/h4-19H2,1-3H3
InChIKey FZYRIWICTLRZLS-UHFFFAOYSA-N
Molecular Weight 536.624 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC