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

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Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester
SpectraBase Compound ID 7Gpbf9RzI9w
InChI InChI=1S/C23H36F8O4/c1-2-3-4-5-10-13-16-34-18(32)14-11-8-6-7-9-12-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h20H,2-17H2,1H3
InChIKey HATGGUOIUZFPFE-UHFFFAOYSA-N
Mol Weight 528.5 g/mol
Molecular Formula C23H36F8O4
Exact Mass 528.248585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Drd4MZNlzhJ
Name Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.248584939 u
Formula C23H36F8O4
InChI InChI=1S/C23H36F8O4/c1-2-3-4-5-10-13-16-34-18(32)14-11-8-6-7-9-12-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h20H,2-17H2,1H3
InChIKey HATGGUOIUZFPFE-UHFFFAOYSA-N
Molecular Weight 528.524 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F