| SpectraBase Compound ID | 6WLPe6cefuV |
|---|---|
| InChI | InChI=1S/C7H2F6/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H |
| InChIKey | KJOHHPPNYVMWRE-UHFFFAOYSA-N |
| Mol Weight | 200.08 g/mol |
| Molecular Formula | C7H2F6 |
| Exact Mass | 200.006069 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gu3NZzGFVhB |
|---|---|
| Name | 1,2,3-Trifluoro-4-trifluoromethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.006069042 u |
| Formula | C7H2F6 |
| InChI | InChI=1S/C7H2F6/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H |
| InChIKey | KJOHHPPNYVMWRE-UHFFFAOYSA-N |
| Molecular Weight | 200.083 g/mol |
| SMILES | C1(=C(C(=CC=C1C(F)(F)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908432 |