| SpectraBase Compound ID | D7bsm2qPjcO |
|---|---|
| InChI | InChI=1S/C8H7Br3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7-8H |
| InChIKey | AKQLQPZEEIQDCQ-UHFFFAOYSA-N |
| Mol Weight | 342.86 g/mol |
| Molecular Formula | C8H7Br3 |
| Exact Mass | 339.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3p2W22yGyjV |
|---|---|
| Name | Benzene, (1,2,2-tribromoethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.809789225 u |
| Formula | C8H7Br3 |
| InChI | InChI=1S/C8H7Br3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7-8H |
| InChIKey | AKQLQPZEEIQDCQ-UHFFFAOYSA-N |
| Molecular Weight | 342.856 g/mol |
| SMILES | C(C(Br)Br)(C1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953596 |