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Terephthalic acid, nonyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, nonyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID J8QduGTgnt2
InChI InChI=1S/C25H27F5O4/c1-3-4-5-6-7-8-9-14-33-24(31)16-10-12-17(13-11-16)25(32)34-15(2)18-19(26)21(28)23(30)22(29)20(18)27/h10-13,15H,3-9,14H2,1-2H3
InChIKey ZOUJPPXNBAMFKD-UHFFFAOYSA-N
Mol Weight 486.48 g/mol
Molecular Formula C25H27F5O4
Exact Mass 486.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWWYtT6ilX3
Name Terephthalic acid, nonyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.182950160 u
Formula C25H27F5O4
InChI InChI=1S/C25H27F5O4/c1-3-4-5-6-7-8-9-14-33-24(31)16-10-12-17(13-11-16)25(32)34-15(2)18-19(26)21(28)23(30)22(29)20(18)27/h10-13,15H,3-9,14H2,1-2H3
InChIKey ZOUJPPXNBAMFKD-UHFFFAOYSA-N
Molecular Weight 486.479 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C