| SpectraBase Spectrum ID |
Jdmoe4WkO7J |
| Name |
Terephthalic acid, ethyl 3,4,5-trifluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.076593384 u |
| Formula |
C17H13F3O4 |
| InChI |
InChI=1S/C17H13F3O4/c1-2-23-16(21)11-3-5-12(6-4-11)17(22)24-9-10-7-13(18)15(20)14(19)8-10/h3-8H,2,9H2,1H3 |
| InChIKey |
HCJAXCAXYMRHJP-UHFFFAOYSA-N |
| Molecular Weight |
338.282 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1=CC(=C(C(=C1)F)F)F)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879145 |
