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

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Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
SpectraBase Compound ID 9nBjY1TDFBn
InChI InChI=1S/C23H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-34-18(32)14-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h14-15,20H,2-13,16-17H2,1H3/b15-14+
InChIKey ZIPBMKNEKKDDTJ-CCEZHUSRSA-N
Mol Weight 526.5 g/mol
Molecular Formula C23H34F8O4
Exact Mass 526.232935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI7gKYPFWvF
Name Fumaric 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 526.232934875 u
Formula C23H34F8O4
InChI InChI=1S/C23H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-34-18(32)14-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h14-15,20H,2-13,16-17H2,1H3/b15-14+
InChIKey ZIPBMKNEKKDDTJ-CCEZHUSRSA-N
Molecular Weight 526.508 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O