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Diethylmalonic acid, heptadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptadecyl pentafluorophenyl ester
SpectraBase Compound ID K0wXiOcNhFR
InChI InChI=1S/C30H45F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-28(36)30(5-2,6-3)29(37)39-27-25(34)23(32)22(31)24(33)26(27)35/h4-21H2,1-3H3
InChIKey HBNJUCXBGPQKHA-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C30H45F5O4
Exact Mass 564.323801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WY9itE4ELD
Name Diethylmalonic acid, heptadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.323800740 u
Formula C30H45F5O4
InChI InChI=1S/C30H45F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-28(36)30(5-2,6-3)29(37)39-27-25(34)23(32)22(31)24(33)26(27)35/h4-21H2,1-3H3
InChIKey HBNJUCXBGPQKHA-UHFFFAOYSA-N
Molecular Weight 564.678 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC)C