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

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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
SpectraBase Compound ID Dz3wC3T7Xxp
InChI InChI=1S/C27H36F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-38-22(36)20-15-14-16-21(18-20)23(37)39-19-25(30,31)27(34,35)26(32,33)24(28)29/h14-16,18,24H,2-13,17,19H2,1H3
InChIKey FSPYCSSXUSHJPF-UHFFFAOYSA-N
Mol Weight 576.6 g/mol
Molecular Formula C27H36F8O4
Exact Mass 576.248585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVhBpL9JFsd
Name Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.248584939 u
Formula C27H36F8O4
InChI InChI=1S/C27H36F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-38-22(36)20-15-14-16-21(18-20)23(37)39-19-25(30,31)27(34,35)26(32,33)24(28)29/h14-16,18,24H,2-13,17,19H2,1H3
InChIKey FSPYCSSXUSHJPF-UHFFFAOYSA-N
Molecular Weight 576.568 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O