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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-trifluoromethylbenzyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl hexyl ester
SpectraBase Compound ID BPPGNGBIuVf
InChI InChI=1S/C22H23F3O4/c1-2-3-4-7-14-28-20(26)18-8-5-6-9-19(18)21(27)29-15-16-10-12-17(13-11-16)22(23,24)25/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKey RBXLXSRMNONJDI-UHFFFAOYSA-N
Mol Weight 408.42 g/mol
Molecular Formula C22H23F3O4
Exact Mass 408.154844 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 AlG7PJQx1RE
Name Phthalic acid, 4-trifluoromethylbenzyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.154843706 u
Formula C22H23F3O4
InChI InChI=1S/C22H23F3O4/c1-2-3-4-7-14-28-20(26)18-8-5-6-9-19(18)21(27)29-15-16-10-12-17(13-11-16)22(23,24)25/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKey RBXLXSRMNONJDI-UHFFFAOYSA-N
Molecular Weight 408.417 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O