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

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Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
SpectraBase Compound ID EMEHqTRG4h1
InChI InChI=1S/C22H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-33-17(31)13-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h13-14,19H,2-12,15-16H2,1H3/b14-13+
InChIKey HHMPJJXUNFZZFT-BUHFOSPRSA-N
Mol Weight 512.5 g/mol
Molecular Formula C22H32F8O4
Exact Mass 512.217285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzqqHXq4hT7
Name Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.217284810 u
Formula C22H32F8O4
InChI InChI=1S/C22H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-33-17(31)13-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h13-14,19H,2-12,15-16H2,1H3/b14-13+
InChIKey HHMPJJXUNFZZFT-BUHFOSPRSA-N
Molecular Weight 512.481 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O