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Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tridecyl ester

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Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tridecyl ester
SpectraBase Compound ID 2083w7mC7n
InChI InChI=1S/C24H40F6O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-33-20(31)22(5-2,6-3)21(32)34-18-23(26,27)19(25)24(28,29)30/h19H,4-18H2,1-3H3/t19-/m0/s1
InChIKey MEEQMCDVMOJTDX-IBGZPJMESA-N
Mol Weight 506.6 g/mol
Molecular Formula C24H40F6O4
Exact Mass 506.283079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A832GmCQLLL
Name Diethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.283078742 u
Formula C24H40F6O4
InChI InChI=1S/C24H40F6O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-33-20(31)22(5-2,6-3)21(32)34-18-23(26,27)19(25)24(28,29)30/h19H,4-18H2,1-3H3/t19-/m0/s1
InChIKey MEEQMCDVMOJTDX-IBGZPJMESA-N
Molecular Weight 506.570 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O