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Phthalic acid, 1-(pentafluorophenyl)ethyl tetradecyl ester

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Phthalic acid, 1-(pentafluorophenyl)ethyl tetradecyl ester
SpectraBase Compound ID 81Xa7hSurDH
InChI InChI=1S/C30H37F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-38-29(36)21-17-14-15-18-22(21)30(37)39-20(2)23-24(31)26(33)28(35)27(34)25(23)32/h14-15,17-18,20H,3-13,16,19H2,1-2H3
InChIKey IWWSTAHZYHSYCH-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C30H37F5O4
Exact Mass 556.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2837tjbIHVy
Name Phthalic acid, 1-(pentafluorophenyl)ethyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.261200482 u
Formula C30H37F5O4
InChI InChI=1S/C30H37F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-38-29(36)21-17-14-15-18-22(21)30(37)39-20(2)23-24(31)26(33)28(35)27(34)25(23)32/h14-15,17-18,20H,3-13,16,19H2,1-2H3
InChIKey IWWSTAHZYHSYCH-UHFFFAOYSA-N
Molecular Weight 556.614 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCCC