| SpectraBase Compound ID | 2bKVpgOwASK |
|---|---|
| InChI | InChI=1S/C7H4BrClF2O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | QBFJZAGJDZAVQT-UHFFFAOYSA-N |
| Mol Weight | 257.46 g/mol |
| Molecular Formula | C7H4BrClF2O |
| Exact Mass | 255.910212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5YNTjxUYUYY |
|---|---|
| Name | Benzene, 1-bromo-4-chlorodifluoromethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.910211774 u |
| Formula | C7H4BrClF2O |
| InChI | InChI=1S/C7H4BrClF2O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | QBFJZAGJDZAVQT-UHFFFAOYSA-N |
| Molecular Weight | 257.462 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)OC(Cl)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846767 |