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Phthalic acid, decyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl pentafluorophenyl ester
SpectraBase Compound ID 1l5pKpmTD9t
InChI InChI=1S/C24H25F5O4/c1-2-3-4-5-6-7-8-11-14-32-23(30)15-12-9-10-13-16(15)24(31)33-22-20(28)18(26)17(25)19(27)21(22)29/h9-10,12-13H,2-8,11,14H2,1H3
InChIKey JNDYMHBDCQHBOU-UHFFFAOYSA-N
Mol Weight 472.45 g/mol
Molecular Formula C24H25F5O4
Exact Mass 472.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5h9uWfskIHL
Name Phthalic acid, decyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.167300096 u
Formula C24H25F5O4
InChI InChI=1S/C24H25F5O4/c1-2-3-4-5-6-7-8-11-14-32-23(30)15-12-9-10-13-16(15)24(31)33-22-20(28)18(26)17(25)19(27)21(22)29/h9-10,12-13H,2-8,11,14H2,1H3
InChIKey JNDYMHBDCQHBOU-UHFFFAOYSA-N
Molecular Weight 472.452 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O