| SpectraBase Compound ID | 3htG46lYdSQ |
|---|---|
| InChI | InChI=1S/C7H2Br3F3O/c8-2-1-3(9)6(14)5(10)4(2)7(11,12)13/h1,14H |
| InChIKey | UJGDTIJKYXZZNR-UHFFFAOYSA-N |
| Mol Weight | 398.8 g/mol |
| Molecular Formula | C7H2Br3F3O |
| Exact Mass | 395.760788 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Em2N4nDP5He |
|---|---|
| Name | 2,4,6-Tribromo-3-(trifluoromethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.760788172 u |
| Formula | C7H2Br3F3O |
| InChI | InChI=1S/C7H2Br3F3O/c8-2-1-3(9)6(14)5(10)4(2)7(11,12)13/h1,14H |
| InChIKey | UJGDTIJKYXZZNR-UHFFFAOYSA-N |
| Molecular Weight | 398.799 g/mol |
| SMILES | C(F)(F)(F)C1=C(Br)C(O)=C(C=C1Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945007 |