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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester
SpectraBase Compound ID 984WtyYMJdY
InChI InChI=1S/C27H48BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-24(32)26(5-2,6-3)25(33)35-23(22-28)27(29,30)31/h23H,4-22H2,1-3H3
InChIKey YEJASGVQVYXWOT-UHFFFAOYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C27H48BrF3O4
Exact Mass 572.268808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcgpGn5sYOp
Name Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.268807511 u
Formula C27H48BrF3O4
InChI InChI=1S/C27H48BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-24(32)26(5-2,6-3)25(33)35-23(22-28)27(29,30)31/h23H,4-22H2,1-3H3
InChIKey YEJASGVQVYXWOT-UHFFFAOYSA-N
Molecular Weight 573.576 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O