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Dimethylmalonic acid, pentafluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, pentafluorophenyl tridecyl ester
SpectraBase Compound ID 8iyFpgAy94F
InChI InChI=1S/C24H33F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-32-22(30)24(2,3)23(31)33-21-19(28)17(26)16(25)18(27)20(21)29/h4-15H2,1-3H3
InChIKey BLKCAOGREDUWOB-UHFFFAOYSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H33F5O4
Exact Mass 480.2299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QQt9pHTMwr
Name Dimethylmalonic acid, pentafluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.229900354 u
Formula C24H33F5O4
InChI InChI=1S/C24H33F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-32-22(30)24(2,3)23(31)33-21-19(28)17(26)16(25)18(27)20(21)29/h4-15H2,1-3H3
InChIKey BLKCAOGREDUWOB-UHFFFAOYSA-N
Molecular Weight 480.516 g/mol
SMILES CCCCCCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O