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

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID 8JaRK4ftx6S
InChI InChI=1S/C26H47F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-23(30)25(6-2,7-3)24(31)33-22(4)26(27,28)29/h22H,5-21H2,1-4H3
InChIKey FDRSWKUWSSPWLO-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C26H47F3O4
Exact Mass 480.342644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSicr0gn7TK
Name Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.342644478 u
Formula C26H47F3O4
InChI InChI=1S/C26H47F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-23(30)25(6-2,7-3)24(31)33-22(4)26(27,28)29/h22H,5-21H2,1-4H3
InChIKey FDRSWKUWSSPWLO-UHFFFAOYSA-N
Molecular Weight 480.653 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)C)=O