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Phthalic acid, pentadecyl 2,4,5-trifluorobenzyl ester

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Phthalic acid, pentadecyl 2,4,5-trifluorobenzyl ester
SpectraBase Compound ID AbSMU3zmCPA
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-36-29(34)24-17-14-15-18-25(24)30(35)37-22-23-20-27(32)28(33)21-26(23)31/h14-15,17-18,20-21H,2-13,16,19,22H2,1H3
InChIKey QSUFBNATYQSWGC-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C30H39F3O4
Exact Mass 520.280044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RotjYXmlS2
Name Phthalic acid, pentadecyl 2,4,5-trifluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.280044221 u
Formula C30H39F3O4
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-36-29(34)24-17-14-15-18-25(24)30(35)37-22-23-20-27(32)28(33)21-26(23)31/h14-15,17-18,20-21H,2-13,16,19,22H2,1H3
InChIKey QSUFBNATYQSWGC-UHFFFAOYSA-N
Molecular Weight 520.633 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(OCC1=C(C=C(C(=C1)F)F)F)=O