| SpectraBase Compound ID | 8o6j5PJxuQJ |
|---|---|
| InChI | InChI=1S/C8H6Br4/c9-7(10)8(11,12)6-4-2-1-3-5-6/h1-5,7H |
| InChIKey | LZXIOBBQFSCJGK-UHFFFAOYSA-N |
| Mol Weight | 421.75 g/mol |
| Molecular Formula | C8H6Br4 |
| Exact Mass | 417.720302 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3UjO6tY8JLN |
|---|---|
| Name | (1,1,2,2-Tetrabromoethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.720302193 u |
| Formula | C8H6Br4 |
| InChI | InChI=1S/C8H6Br4/c9-7(10)8(11,12)6-4-2-1-3-5-6/h1-5,7H |
| InChIKey | LZXIOBBQFSCJGK-UHFFFAOYSA-N |
| Molecular Weight | 421.752 g/mol |
| SMILES | C(C(Br)Br)(C=1C=CC=CC1)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919355 |