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Phthalic acid, 3,4-difluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl tridecyl ester
SpectraBase Compound ID 56tlic4Fl3e
InChI InChI=1S/C28H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)23-15-12-13-16-24(23)28(32)34-21-22-17-18-25(29)26(30)20-22/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey IHCWHSGVONQPPN-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 5Vp9sBYTMqz
Name Phthalic acid, 3,4-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)23-15-12-13-16-24(23)28(32)34-21-22-17-18-25(29)26(30)20-22/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey IHCWHSGVONQPPN-UHFFFAOYSA-N
Molecular Weight 474.589 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O