| SpectraBase Compound ID | ACxun32HC7v |
|---|---|
| InChI | InChI=1S/C7H4Br4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2 |
| InChIKey | HXDZIPFLLJTACW-UHFFFAOYSA-N |
| Mol Weight | 407.73 g/mol |
| Molecular Formula | C7H4Br4 |
| Exact Mass | 403.704652 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FlcOz3vY5Y8 |
|---|---|
| Name | 1,2,3-Tribromo-5-(bromomethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.704652129 u |
| Formula | C7H4Br4 |
| InChI | InChI=1S/C7H4Br4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2 |
| InChIKey | HXDZIPFLLJTACW-UHFFFAOYSA-N |
| Molecular Weight | 407.725 g/mol |
| SMILES | C=1(C(=CC(=CC1Br)CBr)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878046 |