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

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Isophthalic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID FBD8TdmyUsH
InChI InChI=1S/C23H28F8O4/c1-2-3-4-5-6-7-8-9-13-34-18(32)16-11-10-12-17(14-16)19(33)35-15-21(26,27)23(30,31)22(28,29)20(24)25/h10-12,14,20H,2-9,13,15H2,1H3
InChIKey ZKFCNWDBRPHZIO-UHFFFAOYSA-N
Mol Weight 520.46 g/mol
Molecular Formula C23H28F8O4
Exact Mass 520.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID splRI0RHas
Name Isophthalic acid, decyl 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 520.185984682 u
Formula C23H28F8O4
InChI InChI=1S/C23H28F8O4/c1-2-3-4-5-6-7-8-9-13-34-18(32)16-11-10-12-17(14-16)19(33)35-15-21(26,27)23(30,31)22(28,29)20(24)25/h10-12,14,20H,2-9,13,15H2,1H3
InChIKey ZKFCNWDBRPHZIO-UHFFFAOYSA-N
Molecular Weight 520.460 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O