| SpectraBase Spectrum ID |
CiiGPZfVR0o |
| Name |
Phthalic acid, 4-trifluoromethylbenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.092243448 u |
| Formula |
C18H15F3O4 |
| InChI |
InChI=1S/C18H15F3O4/c1-2-24-16(22)14-5-3-4-6-15(14)17(23)25-11-12-7-9-13(10-8-12)18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey |
FMFUKUIKSQNSTD-UHFFFAOYSA-N |
| Molecular Weight |
352.309 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879754 |
