| SpectraBase Compound ID | DLrIGJiuoqJ |
|---|---|
| InChI | InChI=1S/C9H7Br3/c10-8(6-9(8,11)12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | METMDQWJXWCHIA-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C9H7Br3 |
| Exact Mass | 351.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GqUb2qRQow0 |
|---|---|
| Name | Benzene, (1,2,2-tribromocyclopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.809789225 u |
| Formula | C9H7Br3 |
| InChI | InChI=1S/C9H7Br3/c10-8(6-9(8,11)12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | METMDQWJXWCHIA-UHFFFAOYSA-N |
| Molecular Weight | 354.867 g/mol |
| SMILES | C1=CC=C(C=C1)C1(C(Br)(Br)C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951036 |