| SpectraBase Spectrum ID |
DVZo8RtnmgG |
| Name |
1,1'-(4-Hydroxy-6-trifluoroacetyloxy-1,3-phenylene)bisethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.040207874 u |
| Formula |
C12H9F3O5 |
| InChI |
InChI=1S/C12H9F3O5/c1-5(16)7-3-8(6(2)17)10(4-9(7)18)20-11(19)12(13,14)15/h3-4,18H,1-2H3 |
| InChIKey |
VHDBFDYHCVFFNA-UHFFFAOYSA-N |
| Molecular Weight |
290.194 g/mol |
| SMILES |
C1(=CC(O)=C(C=C1C(C)=O)C(=O)C)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959723 |
