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Phthalic acid, octadecyl 1-(pentafluorophenyl)ethyl ester

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Phthalic acid, octadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID GiX3DjkSuuu
InChI InChI=1S/C34H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-42-33(40)25-21-18-19-22-26(25)34(41)43-24(2)27-28(35)30(37)32(39)31(38)29(27)36/h18-19,21-22,24H,3-17,20,23H2,1-2H3
InChIKey MWVDYMRYYOGGOP-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C34H45F5O4
Exact Mass 612.323801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8p8axXOskTq
Name Phthalic acid, octadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.323800740 u
Formula C34H45F5O4
InChI InChI=1S/C34H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-42-33(40)25-21-18-19-22-26(25)34(41)43-24(2)27-28(35)30(37)32(39)31(38)29(27)36/h18-19,21-22,24H,3-17,20,23H2,1-2H3
InChIKey MWVDYMRYYOGGOP-UHFFFAOYSA-N
Molecular Weight 612.722 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCCCCCCC