| SpectraBase Compound ID | HkWCoD6xK7T |
|---|---|
| InChI | InChI=1S/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3 |
| InChIKey | LMTXANJNYFUPOZ-UHFFFAOYSA-N |
| Mol Weight | 294.81 g/mol |
| Molecular Formula | C4H7Br3 |
| Exact Mass | 291.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DOdcL5mkkxF |
|---|---|
| Name | Butane, 1,2,2-tribromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.809789225 u |
| Formula | C4H7Br3 |
| InChI | InChI=1S/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3 |
| InChIKey | LMTXANJNYFUPOZ-UHFFFAOYSA-N |
| Molecular Weight | 294.812 g/mol |
| SMILES | C(C(CC)(Br)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821488 |