| SpectraBase Compound ID | 89aLy49odkD |
|---|---|
| InChI | InChI=1S/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H |
| InChIKey | LTHOSILCKUBBIS-UHFFFAOYSA-N |
| Mol Weight | 192.11 g/mol |
| Molecular Formula | C8H4F4O |
| Exact Mass | 192.019827 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3izJoeRcvq6 |
|---|---|
| Name | alpha,alpha,alpha-Trifluoro-m-tolyoyl fluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.019827400 u |
| Formula | C8H4F4O |
| InChI | InChI=1S/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H |
| InChIKey | LTHOSILCKUBBIS-UHFFFAOYSA-N |
| Molecular Weight | 192.113 g/mol |
| SMILES | C=1C=C(C=C(C1)C(F)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.819838 |