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

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Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
SpectraBase Compound ID IG0FsRI52Mu
InChI InChI=1S/C29H48F8O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-40-24(38)20-17-14-11-12-15-18-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h26H,2-23H2,1H3
InChIKey DLGIAYAYNDMDBN-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C29H48F8O4
Exact Mass 612.342485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dhgeh9qD3B
Name Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.342485326 u
Formula C29H48F8O4
InChI InChI=1S/C29H48F8O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-40-24(38)20-17-14-11-12-15-18-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h26H,2-23H2,1H3
InChIKey DLGIAYAYNDMDBN-UHFFFAOYSA-N
Molecular Weight 612.686 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F