| SpectraBase Compound ID | Bs2ozmbOprt |
|---|---|
| InChI | InChI=1S/C8H5Br5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H |
| InChIKey | CXEFOUZFDACUCV-UHFFFAOYSA-N |
| Mol Weight | 500.65 g/mol |
| Molecular Formula | C8H5Br5 |
| Exact Mass | 495.630815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Gn6Grdlro0 |
|---|---|
| Name | 1-(Dibromomethyl)-2-(tribromomethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 495.630815161 u |
| Formula | C8H5Br5 |
| InChI | InChI=1S/C8H5Br5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H |
| InChIKey | CXEFOUZFDACUCV-UHFFFAOYSA-N |
| Molecular Weight | 500.648 g/mol |
| SMILES | C=1(C(=CC=CC1)C(Br)(Br)Br)C(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852955 |