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Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 4gkwnHl1kNL
InChI InChI=1S/C20H22F8O4/c1-2-3-4-5-6-10-31-15(29)13-8-7-9-14(11-13)16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h7-9,11,17H,2-6,10,12H2,1H3
InChIKey ZKMSQZNUIRRCFL-UHFFFAOYSA-N
Mol Weight 478.38 g/mol
Molecular Formula C20H22F8O4
Exact Mass 478.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4UHZYsktSD
Name Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.139034488 u
Formula C20H22F8O4
InChI InChI=1S/C20H22F8O4/c1-2-3-4-5-6-10-31-15(29)13-8-7-9-14(11-13)16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h7-9,11,17H,2-6,10,12H2,1H3
InChIKey ZKMSQZNUIRRCFL-UHFFFAOYSA-N
Molecular Weight 478.379 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O