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Glutaric acid, octyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, octyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID DLJI6JcfDBV
InChI InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-11-29-14(27)9-8-10-15(28)30-12-13-31-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey ZLIUXOKGCXVXAG-UHFFFAOYSA-N
Mol Weight 454.43 g/mol
Molecular Formula C21H27F5O5
Exact Mass 454.177865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HQPdG06rAO
Name Glutaric acid, octyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.177864779 u
Formula C21H27F5O5
InChI InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-11-29-14(27)9-8-10-15(28)30-12-13-31-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey ZLIUXOKGCXVXAG-UHFFFAOYSA-N
Molecular Weight 454.434 g/mol
SMILES C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCCCCCC)=O