| SpectraBase Spectrum ID |
Fz94cY9YsOZ |
| Name |
4'-Hydroxy-3'-methoxyacetophenone, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.015742792 u |
| Formula |
C11H9ClF2O4 |
| InChI |
InChI=1S/C11H9ClF2O4/c1-6(15)7-3-4-8(9(5-7)17-2)18-10(16)11(12,13)14/h3-5H,1-2H3 |
| InChIKey |
PEWPSJKUEBBIRQ-UHFFFAOYSA-N |
| Molecular Weight |
278.639 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC(C(F)(F)Cl)=O)OC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885346 |
