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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID EEpO56dDXEZ
InChI InChI=1S/C23H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-31-19(29)21(5-2,6-3)20(30)32-18-22(24,25)23(26,27)28/h4-18H2,1-3H3
InChIKey AOEJQAHBLQCGPI-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C23H39F5O4
Exact Mass 474.276851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n61YZgdFu7
Name Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.276850547 u
Formula C23H39F5O4
InChI InChI=1S/C23H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-31-19(29)21(5-2,6-3)20(30)32-18-22(24,25)23(26,27)28/h4-18H2,1-3H3
InChIKey AOEJQAHBLQCGPI-UHFFFAOYSA-N
Molecular Weight 474.553 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O