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Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester
SpectraBase Compound ID BBpEy3hZ1vZ
InChI InChI=1S/C24H41F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)22(5-2,6-3)21(31)33-19-23(25,26)24(27,28)29/h4-19H2,1-3H3
InChIKey GHMSDZJTPNHTHE-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C24H41F5O4
Exact Mass 488.292501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lcYXiltwOh
Name Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.292500611 u
Formula C24H41F5O4
InChI InChI=1S/C24H41F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)22(5-2,6-3)21(31)33-19-23(25,26)24(27,28)29/h4-19H2,1-3H3
InChIKey GHMSDZJTPNHTHE-UHFFFAOYSA-N
Molecular Weight 488.580 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O