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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester
SpectraBase Compound ID JkVlHBkW3LC
InChI InChI=1S/C20H34BrF3O4/c1-4-7-8-9-10-11-12-13-14-27-17(25)19(5-2,6-3)18(26)28-16(15-21)20(22,23)24/h16H,4-15H2,1-3H3
InChIKey YSCMQYLPUACKGU-UHFFFAOYSA-N
Mol Weight 475.4 g/mol
Molecular Formula C20H34BrF3O4
Exact Mass 474.159257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NZDGRz8rKl
Name Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.159257060 u
Formula C20H34BrF3O4
InChI InChI=1S/C20H34BrF3O4/c1-4-7-8-9-10-11-12-13-14-27-17(25)19(5-2,6-3)18(26)28-16(15-21)20(22,23)24/h16H,4-15H2,1-3H3
InChIKey YSCMQYLPUACKGU-UHFFFAOYSA-N
Molecular Weight 475.387 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O