| SpectraBase Spectrum ID |
3dMWvkemSov |
| Name |
2'-Hydroxy-5'-methoxyacetophenone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.045293255 u |
| Formula |
C11H9F3O4 |
| InChI |
InChI=1S/C11H9F3O4/c1-6(15)8-5-7(17-2)3-4-9(8)18-10(16)11(12,13)14/h3-5H,1-2H3 |
| InChIKey |
YXIYITLQAFOFLJ-UHFFFAOYSA-N |
| Molecular Weight |
262.184 g/mol |
| SMILES |
C1(C(=O)C)=C(C=CC(=C1)OC)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952303 |
