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Terephthalic acid, octyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 6XHIOCUhUqg
InChI InChI=1S/C24H25F5O4/c1-3-4-5-6-7-8-13-32-23(30)15-9-11-16(12-10-15)24(31)33-14(2)17-18(25)20(27)22(29)21(28)19(17)26/h9-12,14H,3-8,13H2,1-2H3
InChIKey GEFJOOGVFAZFQY-UHFFFAOYSA-N
Mol Weight 472.45 g/mol
Molecular Formula C24H25F5O4
Exact Mass 472.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9weiForSPRT
Name Terephthalic acid, octyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.167300096 u
Formula C24H25F5O4
InChI InChI=1S/C24H25F5O4/c1-3-4-5-6-7-8-13-32-23(30)15-9-11-16(12-10-15)24(31)33-14(2)17-18(25)20(27)22(29)21(28)19(17)26/h9-12,14H,3-8,13H2,1-2H3
InChIKey GEFJOOGVFAZFQY-UHFFFAOYSA-N
Molecular Weight 472.452 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C