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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester
SpectraBase Compound ID 4a9RlCXudv0
InChI InChI=1S/C28H50BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-25(33)27(5-2,6-3)26(34)36-24(23-29)28(30,31)32/h24H,4-23H2,1-3H3
InChIKey RETBGVOFZDGUEA-UHFFFAOYSA-N
Mol Weight 587.6 g/mol
Molecular Formula C28H50BrF3O4
Exact Mass 586.284458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGKAm6I6TT
Name Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.284457575 u
Formula C28H50BrF3O4
InChI InChI=1S/C28H50BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-25(33)27(5-2,6-3)26(34)36-24(23-29)28(30,31)32/h24H,4-23H2,1-3H3
InChIKey RETBGVOFZDGUEA-UHFFFAOYSA-N
Molecular Weight 587.603 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O