| SpectraBase Spectrum ID |
7y41bjE95Br |
| Name |
Phthalic acid, ethyl 4-trifluoromethoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.087158067 u |
| Formula |
C18H15F3O5 |
| InChI |
InChI=1S/C18H15F3O5/c1-2-24-16(22)14-5-3-4-6-15(14)17(23)25-11-12-7-9-13(10-8-12)26-18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey |
WYQKTJVVCRFMLO-UHFFFAOYSA-N |
| Molecular Weight |
368.308 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCC1=CC=C(OC(F)(F)F)C=C1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949373 |
