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

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Isophthalic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 9BoGwSIR6yp
InChI InChI=1S/C30H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-41-25(39)23-18-17-19-24(21-23)26(40)42-22-28(33,34)30(37,38)29(35,36)27(31)32/h17-19,21,27H,2-16,20,22H2,1H3
InChIKey GAXDXSKGNONBRZ-UHFFFAOYSA-N
Mol Weight 618.6 g/mol
Molecular Formula C30H42F8O4
Exact Mass 618.295535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zrasXxplfa
Name Isophthalic acid, heptadecyl 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 618.295535132 u
Formula C30H42F8O4
InChI InChI=1S/C30H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-41-25(39)23-18-17-19-24(21-23)26(40)42-22-28(33,34)30(37,38)29(35,36)27(31)32/h17-19,21,27H,2-16,20,22H2,1H3
InChIKey GAXDXSKGNONBRZ-UHFFFAOYSA-N
Molecular Weight 618.649 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O