| SpectraBase Compound ID | C2F0J4l2VkU |
|---|---|
| InChI | InChI=1S/C8H5Br2NO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,1H3 |
| InChIKey | SVQMQFRJRKDMNJ-UHFFFAOYSA-N |
| Mol Weight | 290.94 g/mol |
| Molecular Formula | C8H5Br2NO |
| Exact Mass | 288.87379 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IoxgJz3rkct |
|---|---|
| Name | Benzonitrile, 2,6-dibromo-3-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.873789784 u |
| Formula | C8H5Br2NO |
| InChI | InChI=1S/C8H5Br2NO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,1H3 |
| InChIKey | SVQMQFRJRKDMNJ-UHFFFAOYSA-N |
| Molecular Weight | 290.942 g/mol |
| SMILES | COC1=CC=C(C(=C1Br)C#N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873439 |