| SpectraBase Compound ID | IObq5LD1hE9 |
|---|---|
| InChI | InChI=1S/C7H3Br3O/c8-4-1-2-5(9)7(11)6(10)3-4/h1-3H |
| InChIKey | MXXSTRTVSOUGQE-UHFFFAOYSA-N |
| Mol Weight | 342.81 g/mol |
| Molecular Formula | C7H3Br3O |
| Exact Mass | 339.773404 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KCpiFaXsnkH |
|---|---|
| Name | 2,4,7-Tribromotropone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.773403716 u |
| Formula | C7H3Br3O |
| InChI | InChI=1S/C7H3Br3O/c8-4-1-2-5(9)7(11)6(10)3-4/h1-3H |
| InChIKey | MXXSTRTVSOUGQE-UHFFFAOYSA-N |
| Molecular Weight | 342.812 g/mol |
| SMILES | C1(=CC(Br)=CC=C(C1=O)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942054 |