SpectraBase Spectrum ID |
90kF6WMm4BI |
Name |
Terephthalic acid, 3,4-difluorobenzyl octyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.179915639 u |
Formula |
C23H26F2O4 |
InChI |
InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-14-28-22(26)18-9-11-19(12-10-18)23(27)29-16-17-8-13-20(24)21(25)15-17/h8-13,15H,2-7,14,16H2,1H3 |
InChIKey |
UEAYNNRHGPYENT-UHFFFAOYSA-N |
Molecular Weight |
404.454 g/mol |
SMILES |
C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCCCC)=O |