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Phthalic acid, 2,5-difluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl tridecyl ester
SpectraBase Compound ID 7wrMcC9kxhP
InChI InChI=1S/C28H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(29)17-18-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey RXGJLVUCRDLHOF-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H36F2O4
Exact Mass 474.258166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLDnTJgbnhu
Name Phthalic acid, 2,5-difluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.258165961 u
Formula C28H36F2O4
InChI InChI=1S/C28H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(29)17-18-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey RXGJLVUCRDLHOF-UHFFFAOYSA-N
Molecular Weight 474.589 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCCC)=O