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Terephthalic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 49koHIaaFgD
InChI InChI=1S/C20H25F5O4/c1-2-3-4-5-6-7-8-13-28-17(26)15-9-11-16(12-10-15)18(27)29-14-19(21,22)20(23,24)25/h9-12H,2-8,13-14H2,1H3
InChIKey VOMZPKYFHCASNM-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KVEVjVDE7w
Name Terephthalic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-2-3-4-5-6-7-8-13-28-17(26)15-9-11-16(12-10-15)18(27)29-14-19(21,22)20(23,24)25/h9-12H,2-8,13-14H2,1H3
InChIKey VOMZPKYFHCASNM-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O