| SpectraBase Spectrum ID |
9HNLsQa7NEj |
| Name |
1-(3,4-Dimethoxyphenyl)-3,3,3-trifluoro-2-methylpropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.081678765 u |
| Formula |
C12H13F3O3 |
| InChI |
InChI=1S/C12H13F3O3/c1-7(12(13,14)15)11(16)8-4-5-9(17-2)10(6-8)18-3/h4-7H,1-3H3 |
| InChIKey |
KXKQGUWPEZSYHN-UHFFFAOYSA-N |
| Molecular Weight |
262.228 g/mol |
| SMILES |
C=1C=C(C=C(C1OC)OC)C(=O)C(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955999 |
