| SpectraBase Compound ID | 6BjazZ8Dt5P |
|---|---|
| InChI | InChI=1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3 |
| InChIKey | OYPMCZMEPRFUFJ-UHFFFAOYSA-N |
| Mol Weight | 256.1 g/mol |
| Molecular Formula | C10H10BrNO2 |
| Exact Mass | 254.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F1UOaAy4xMp |
|---|---|
| Name | 2-Bromo-4,5-dimethoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.989491564 u |
| Formula | C10H10BrNO2 |
| InChI | InChI=1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3 |
| InChIKey | OYPMCZMEPRFUFJ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)CC#N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937429 |