![[.alpha.-Methyl-(4'-bromobenzylidene)amino]-acetylnitrile](/api/spectrum/gAqdXpsFsR/structure.png?h=300&w=458 "[.alpha.-Methyl-(4'-bromobenzylidene)amino]-acetylnitrile")
| SpectraBase Compound ID | DIQV41DvrE0 |
|---|---|
| InChI | InChI=1S/C10H9BrN2/c1-8(13-7-6-12)9-2-4-10(11)5-3-9/h2-5H,7H2,1H3/b13-8+ |
| InChIKey | RPTSMHAFSSLISN-MDWZMJQESA-N |
| Mol Weight | 237.1 g/mol |
| Molecular Formula | C10H9BrN2 |
| Exact Mass | 235.994911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gAqdXpsFsR |
|---|---|
| Name | [.alpha.-Methyl-(4'-bromobenzylidene)amino]-acetylnitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.994911298 u |
| Formula | C10H9BrN2 |
| InChI | InChI=1S/C10H9BrN2/c1-8(13-7-6-12)9-2-4-10(11)5-3-9/h2-5H,7H2,1H3/b13-8+ |
| InChIKey | RPTSMHAFSSLISN-MDWZMJQESA-N |
| Molecular Weight | 237.100 g/mol |
| SMILES | C(#N)C\N=C\(C1=CC=C(C=C1)Br)C |