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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester

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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester
SpectraBase Compound ID 63ir8KbaeUq
InChI InChI=1S/C20H23F7O4/c1-2-3-4-5-6-7-12-30-16(28)14-8-10-15(11-9-14)17(29)31-13-18(21,22)19(23,24)20(25,26)27/h8-11H,2-7,12-13H2,1H3
InChIKey AFXMXCQCIYWYEH-UHFFFAOYSA-N
Mol Weight 460.39 g/mol
Molecular Formula C20H23F7O4
Exact Mass 460.148456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j56hLjUmDX
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.148456358 u
Formula C20H23F7O4
InChI InChI=1S/C20H23F7O4/c1-2-3-4-5-6-7-12-30-16(28)14-8-10-15(11-9-14)17(29)31-13-18(21,22)19(23,24)20(25,26)27/h8-11H,2-7,12-13H2,1H3
InChIKey AFXMXCQCIYWYEH-UHFFFAOYSA-N
Molecular Weight 460.389 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F