| SpectraBase Compound ID | 4kCcZEZR2yK |
|---|---|
| InChI | InChI=1S/C9H8Br2/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5H,1-3H2 |
| InChIKey | WUZXCNCVYLQZGV-UHFFFAOYSA-N |
| Mol Weight | 275.97 g/mol |
| Molecular Formula | C9H8Br2 |
| Exact Mass | 273.899276 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D0TR9Sr2kF7 |
|---|---|
| Name | 4,7-Dibromoindane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.899276258 u |
| Formula | C9H8Br2 |
| InChI | InChI=1S/C9H8Br2/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5H,1-3H2 |
| InChIKey | WUZXCNCVYLQZGV-UHFFFAOYSA-N |
| SMILES | C12=C(C(Br)=CC=C2Br)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920915 |