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Sebacic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Sebacic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID F3SSnaehmEo
InChI InChI=1S/C27H44F8O4/c1-2-3-4-5-6-7-8-11-14-17-20-38-22(36)18-15-12-9-10-13-16-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h24H,2-21H2,1H3
InChIKey URRVNUBITQMNRX-UHFFFAOYSA-N
Mol Weight 584.6 g/mol
Molecular Formula C27H44F8O4
Exact Mass 584.311185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjK0c1hxVqz
Name Sebacic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.311185197 u
Formula C27H44F8O4
InChI InChI=1S/C27H44F8O4/c1-2-3-4-5-6-7-8-11-14-17-20-38-22(36)18-15-12-9-10-13-16-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h24H,2-21H2,1H3
InChIKey URRVNUBITQMNRX-UHFFFAOYSA-N
Molecular Weight 584.632 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F