| SpectraBase Compound ID | 2qg68hGwTnL |
|---|---|
| InChI | InChI=1S/C9H7Br2N/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-5H2 |
| InChIKey | NRYGYPYWRPNBLZ-UHFFFAOYSA-N |
| Mol Weight | 288.97 g/mol |
| Molecular Formula | C9H7Br2N |
| Exact Mass | 286.894525 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G32Qwqm0Zmt |
|---|---|
| Name | 2,6-bis(Bromomethyl)benzenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.894525229 u |
| Formula | C9H7Br2N |
| InChI | InChI=1S/C9H7Br2N/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-5H2 |
| InChIKey | NRYGYPYWRPNBLZ-UHFFFAOYSA-N |
| SMILES | C(#N)C=1C(CBr)=CC=CC1CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810891 |