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Sebacic acid, 1-(pentafluorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 1-(pentafluorophenyl)ethyl pentyl ester
SpectraBase Compound ID 6dEMbggXoDK
InChI InChI=1S/C23H31F5O4/c1-3-4-11-14-31-16(29)12-9-7-5-6-8-10-13-17(30)32-15(2)18-19(24)21(26)23(28)22(27)20(18)25/h15H,3-14H2,1-2H3
InChIKey FKIQKTJTNLCKRI-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wGcnJCjUT9
Name Sebacic acid, 1-(pentafluorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-3-4-11-14-31-16(29)12-9-7-5-6-8-10-13-17(30)32-15(2)18-19(24)21(26)23(28)22(27)20(18)25/h15H,3-14H2,1-2H3
InChIKey FKIQKTJTNLCKRI-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OC(C=1C(F)=C(C(=C(F)C1F)F)F)C)=O