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Phthalic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester

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Phthalic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 2uQA41OCVMK
InChI InChI=1S/C33H43F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-41-32(39)24-20-17-18-21-25(24)33(40)42-23(2)26-27(34)29(36)31(38)30(37)28(26)35/h17-18,20-21,23H,3-16,19,22H2,1-2H3
InChIKey VOGGMNJWUYWAFA-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C33H43F5O4
Exact Mass 598.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FxWFIPE4w
Name Phthalic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.308150676 u
Formula C33H43F5O4
InChI InChI=1S/C33H43F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-41-32(39)24-20-17-18-21-25(24)33(40)42-23(2)26-27(34)29(36)31(38)30(37)28(26)35/h17-18,20-21,23H,3-16,19,22H2,1-2H3
InChIKey VOGGMNJWUYWAFA-UHFFFAOYSA-N
Molecular Weight 598.695 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCCCCCC