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Phthalic acid, pentadecyl 1-(pentafluorophenyl)ethyl ester

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Phthalic acid, pentadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 3sHqjIzwxn
InChI InChI=1S/C31H39F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-39-30(37)22-18-15-16-19-23(22)31(38)40-21(2)24-25(32)27(34)29(36)28(35)26(24)33/h15-16,18-19,21H,3-14,17,20H2,1-2H3
InChIKey JUQSPRYZMRWTHA-UHFFFAOYSA-N
Mol Weight 570.6 g/mol
Molecular Formula C31H39F5O4
Exact Mass 570.276851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7S5wB3oMd86
Name Phthalic acid, pentadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.276850547 u
Formula C31H39F5O4
InChI InChI=1S/C31H39F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-39-30(37)22-18-15-16-19-23(22)31(38)40-21(2)24-25(32)27(34)29(36)28(35)26(24)33/h15-16,18-19,21H,3-14,17,20H2,1-2H3
InChIKey JUQSPRYZMRWTHA-UHFFFAOYSA-N
Molecular Weight 570.641 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCCCCCC