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Diethylmalonic acid, pentafluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, pentafluorophenyl tridecyl ester
SpectraBase Compound ID 9Axu9ofpL89
InChI InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-34-24(32)26(5-2,6-3)25(33)35-23-21(30)19(28)18(27)20(29)22(23)31/h4-17H2,1-3H3
InChIKey MCEXMVUVRRTTLF-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H37F5O4
Exact Mass 508.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeRFpDbtQyM
Name Diethylmalonic acid, pentafluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.261200482 u
Formula C26H37F5O4
InChI InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-34-24(32)26(5-2,6-3)25(33)35-23-21(30)19(28)18(27)20(29)22(23)31/h4-17H2,1-3H3
InChIKey MCEXMVUVRRTTLF-UHFFFAOYSA-N
Molecular Weight 508.570 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC