| SpectraBase Spectrum ID |
LIXBq6oMBUf |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 3-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.074148602 u |
| Formula |
C17H12F6O2 |
| InChI |
InChI=1S/C17H12F6O2/c1-2-10-4-3-5-12(8-10)25-15(24)13-9-11(16(18,19)20)6-7-14(13)17(21,22)23/h3-9H,2H2,1H3 |
| InChIKey |
JUYFPQXHIQJECX-UHFFFAOYSA-N |
| Molecular Weight |
362.271 g/mol |
| SMILES |
CCC1=CC=CC(=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960084 |
