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Phthalic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester

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Phthalic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 6pQJmPVGFcN
InChI InChI=1S/C32H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-40-31(38)23-19-16-17-20-24(23)32(39)41-22(2)25-26(33)28(35)30(37)29(36)27(25)34/h16-17,19-20,22H,3-15,18,21H2,1-2H3
InChIKey SPNUTWKQRNXJHA-UHFFFAOYSA-N
Mol Weight 584.7 g/mol
Molecular Formula C32H41F5O4
Exact Mass 584.292501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7w7QmcKezy
Name Phthalic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.292500611 u
Formula C32H41F5O4
InChI InChI=1S/C32H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-40-31(38)23-19-16-17-20-24(23)32(39)41-22(2)25-26(33)28(35)30(37)29(36)27(25)34/h16-17,19-20,22H,3-15,18,21H2,1-2H3
InChIKey SPNUTWKQRNXJHA-UHFFFAOYSA-N
Molecular Weight 584.668 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCCCCC