SpectraBase Spectrum ID |
3BiJCYvRYZJ |
Name |
Terephthalic acid, 3,5-difluorophenyl hexyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.132965446 u |
Formula |
C20H20F2O4 |
InChI |
InChI=1S/C20H20F2O4/c1-2-3-4-5-10-25-19(23)14-6-8-15(9-7-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-9,11-13H,2-5,10H2,1H3 |
InChIKey |
NHSZOYWCEBSYPO-UHFFFAOYSA-N |
Molecular Weight |
362.373 g/mol |
SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F)CCCCC |