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Phthalic acid, octyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID GFRA1GG43yB
InChI InChI=1S/C24H25F5O5/c1-2-3-4-5-6-9-12-33-23(30)15-10-7-8-11-16(15)24(31)34-14-13-32-22-20(28)18(26)17(25)19(27)21(22)29/h7-8,10-11H,2-6,9,12-14H2,1H3
InChIKey IBNRXTPCMIMZFJ-UHFFFAOYSA-N
Mol Weight 488.45 g/mol
Molecular Formula C24H25F5O5
Exact Mass 488.162215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIETqcimuKt
Name Phthalic acid, octyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.162214715 u
Formula C24H25F5O5
InChI InChI=1S/C24H25F5O5/c1-2-3-4-5-6-9-12-33-23(30)15-10-7-8-11-16(15)24(31)34-14-13-32-22-20(28)18(26)17(25)19(27)21(22)29/h7-8,10-11H,2-6,9,12-14H2,1H3
InChIKey IBNRXTPCMIMZFJ-UHFFFAOYSA-N
Molecular Weight 488.451 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCC)=O