| SpectraBase Spectrum ID |
5MImQRwSWyB |
| Name |
Phthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl 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)13-10-6-7-11-14(13)17(23)25-15(18(19,20)21)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3 |
| InChIKey |
RGQLZDRUVMBJKU-UHFFFAOYSA-N |
| Molecular Weight |
352.309 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858024 |
