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Diethylmalonic acid, pentafluorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, pentafluorophenyl tetradecyl ester
SpectraBase Compound ID 70A9Ck7agWH
InChI InChI=1S/C27H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-35-25(33)27(5-2,6-3)26(34)36-24-22(31)20(29)19(28)21(30)23(24)32/h4-18H2,1-3H3
InChIKey QZQARCIUNWTTQM-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C27H39F5O4
Exact Mass 522.276851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3obRh8r6fGE
Name Diethylmalonic acid, pentafluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.276850547 u
Formula C27H39F5O4
InChI InChI=1S/C27H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-35-25(33)27(5-2,6-3)26(34)36-24-22(31)20(29)19(28)21(30)23(24)32/h4-18H2,1-3H3
InChIKey QZQARCIUNWTTQM-UHFFFAOYSA-N
Molecular Weight 522.597 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC