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Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID 8o4K9c0jyQn
InChI InChI=1S/C23H41F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-29-20(27)22(6-2,7-3)21(28)30-19(4)23(24,25)26/h19H,5-18H2,1-4H3
InChIKey BRYLAYHIIFOQIK-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C23H41F3O4
Exact Mass 438.295694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87uelEtlRfy
Name Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.295694285 u
Formula C23H41F3O4
InChI InChI=1S/C23H41F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-29-20(27)22(6-2,7-3)21(28)30-19(4)23(24,25)26/h19H,5-18H2,1-4H3
InChIKey BRYLAYHIIFOQIK-UHFFFAOYSA-N
Molecular Weight 438.572 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)C)=O