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Phthalic acid, heptyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID IajLqJd0IZC
InChI InChI=1S/C23H23F5O5/c1-2-3-4-5-8-11-32-22(29)14-9-6-7-10-15(14)23(30)33-13-12-31-21-19(27)17(25)16(24)18(26)20(21)28/h6-7,9-10H,2-5,8,11-13H2,1H3
InChIKey ONWASRBLHFDLSS-UHFFFAOYSA-N
Mol Weight 474.42 g/mol
Molecular Formula C23H23F5O5
Exact Mass 474.146565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92CdHrls7cc
Name Phthalic acid, heptyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.146564651 u
Formula C23H23F5O5
InChI InChI=1S/C23H23F5O5/c1-2-3-4-5-8-11-32-22(29)14-9-6-7-10-15(14)23(30)33-13-12-31-21-19(27)17(25)16(24)18(26)20(21)28/h6-7,9-10H,2-5,8,11-13H2,1H3
InChIKey ONWASRBLHFDLSS-UHFFFAOYSA-N
Molecular Weight 474.424 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCC)=O