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Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester
SpectraBase Compound ID FssUD0eRoMx
InChI InChI=1S/C24H42BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(5-2,6-3)22(30)32-20(19-25)24(26,27)28/h20H,4-19H2,1-3H3
InChIKey USFSMDXQIURBKU-UHFFFAOYSA-N
Mol Weight 531.5 g/mol
Molecular Formula C24H42BrF3O4
Exact Mass 530.221857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a3mzHd7FjH
Name Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 530.221857317 u
Formula C24H42BrF3O4
InChI InChI=1S/C24H42BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(5-2,6-3)22(30)32-20(19-25)24(26,27)28/h20H,4-19H2,1-3H3
InChIKey USFSMDXQIURBKU-UHFFFAOYSA-N
Molecular Weight 531.495 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O