| SpectraBase Compound ID | G9fmx8In6Hi |
|---|---|
| InChI | InChI=1S/C9H5F3O2.O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H; |
| InChIKey | TXJGFUFVSAHOAF-UHFFFAOYSA-N |
| Mol Weight | 218.13 g/mol |
| Molecular Formula | C9H5F3O3 |
| Exact Mass | 218.019079 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1VRByEXCfJe |
|---|---|
| Name | 3,3,3-Trifluoro-1-phenyl-1,2-propanedione hydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.019078507 u |
| Formula | C9H5F3O3 |
| InChI | InChI=1S/C9H5F3O2.O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H; |
| InChIKey | TXJGFUFVSAHOAF-UHFFFAOYSA-N |
| Molecular Weight | 218.131 g/mol |
| SMILES | [O].C(C(F)(F)F)(C(=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972004 |