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Phthalic acid, hexadecyl 2-(pentafluorophenoxy)ethyl ester

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Phthalic acid, hexadecyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID KyLzt9G8Z5k
InChI InChI=1S/C32H41F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-41-31(38)23-18-15-16-19-24(23)32(39)42-22-21-40-30-28(36)26(34)25(33)27(35)29(30)37/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey XVKDHLJZDCGEPJ-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C32H41F5O5
Exact Mass 600.287415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F87A5h8WOlB
Name Phthalic acid, hexadecyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.287415230 u
Formula C32H41F5O5
InChI InChI=1S/C32H41F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-41-31(38)23-18-15-16-19-24(23)32(39)42-22-21-40-30-28(36)26(34)25(33)27(35)29(30)37/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey XVKDHLJZDCGEPJ-UHFFFAOYSA-N
Molecular Weight 600.667 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCCCCCCC)=O