For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,5-difluorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl pentadecyl ester
SpectraBase Compound ID Kub2UG1tNX7
InChI InChI=1S/C30H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)26-17-14-15-18-27(26)30(34)36-23-24-22-25(31)19-20-28(24)32/h14-15,17-20,22H,2-13,16,21,23H2,1H3
InChIKey VXUALWDTENYEIQ-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C30H40F2O4
Exact Mass 502.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KvSrWSOhjCM
Name Phthalic acid, 2,5-difluorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.289466090 u
Formula C30H40F2O4
InChI InChI=1S/C30H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)26-17-14-15-18-27(26)30(34)36-23-24-22-25(31)19-20-28(24)32/h14-15,17-20,22H,2-13,16,21,23H2,1H3
InChIKey VXUALWDTENYEIQ-UHFFFAOYSA-N
Molecular Weight 502.643 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCCCCC)=O