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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
SpectraBase Compound ID 4yzkiYUC3jG
InChI InChI=1S/C26H43F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21(34)23(5-2,6-3)22(35)37-20-24(27,28)25(29,30)26(31,32)33/h4-20H2,1-3H3
InChIKey QUGIRALGMXDFMC-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C26H43F7O4
Exact Mass 552.304957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rkMQ6JKLNA
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.304957002 u
Formula C26H43F7O4
InChI InChI=1S/C26H43F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21(34)23(5-2,6-3)22(35)37-20-24(27,28)25(29,30)26(31,32)33/h4-20H2,1-3H3
InChIKey QUGIRALGMXDFMC-UHFFFAOYSA-N
Molecular Weight 552.615 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC