| SpectraBase Spectrum ID |
8CtGM8vwK8a |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 2-ethoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.069063221 u |
| Formula |
C13H12F6O3 |
| InChI |
InChI=1S/C13H12F6O3/c1-2-21-5-6-22-11(20)9-7-8(12(14,15)16)3-4-10(9)13(17,18)19/h3-4,7H,2,5-6H2,1H3 |
| InChIKey |
KNFYHNWUWXVCPA-UHFFFAOYSA-N |
| Molecular Weight |
330.226 g/mol |
| SMILES |
CCOCCOC(C1=C(C(F)(F)F)C=CC(=C1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852664 |
