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

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Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID JIto817xkvk
InChI InChI=1S/C25H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-36-20(34)18-13-12-14-19(16-18)21(35)37-17-23(28,29)25(32,33)24(30,31)22(26)27/h12-14,16,22H,2-11,15,17H2,1H3
InChIKey KZDIOFVHNZAQPK-UHFFFAOYSA-N
Mol Weight 548.5 g/mol
Molecular Formula C25H32F8O4
Exact Mass 548.217285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcuHBkusHaE
Name Isophthalic acid, dodecyl 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 548.217284810 u
Formula C25H32F8O4
InChI InChI=1S/C25H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-36-20(34)18-13-12-14-19(16-18)21(35)37-17-23(28,29)25(32,33)24(30,31)22(26)27/h12-14,16,22H,2-11,15,17H2,1H3
InChIKey KZDIOFVHNZAQPK-UHFFFAOYSA-N
Molecular Weight 548.514 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O