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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester
SpectraBase Compound ID KEiFN8EBRtS
InChI InChI=1S/C23H40BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-30-20(28)22(5-2,6-3)21(29)31-19(18-24)23(25,26)27/h19H,4-18H2,1-3H3
InChIKey KQPRIUMKGPMEGV-UHFFFAOYSA-N
Mol Weight 517.5 g/mol
Molecular Formula C23H40BrF3O4
Exact Mass 516.206207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHTPEv0cGVP
Name Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.206207253 u
Formula C23H40BrF3O4
InChI InChI=1S/C23H40BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-30-20(28)22(5-2,6-3)21(29)31-19(18-24)23(25,26)27/h19H,4-18H2,1-3H3
InChIKey KQPRIUMKGPMEGV-UHFFFAOYSA-N
Molecular Weight 517.468 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O