| SpectraBase Compound ID | 1ziumjdzJ08 |
|---|---|
| InChI | InChI=1S/C7H5Br3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3 |
| InChIKey | HYCMNQNJQFRZJN-UHFFFAOYSA-N |
| Mol Weight | 328.83 g/mol |
| Molecular Formula | C7H5Br3 |
| Exact Mass | 325.794139 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DoXFaJ1d2xD |
|---|---|
| Name | 1,2,4-Tribromo-3-methyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.794139161 u |
| Formula | C7H5Br3 |
| InChI | InChI=1S/C7H5Br3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3 |
| InChIKey | HYCMNQNJQFRZJN-UHFFFAOYSA-N |
| Molecular Weight | 328.829 g/mol |
| SMILES | C=1(C(=C(Br)C=CC1Br)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876045 |