| SpectraBase Compound ID | 3TbnEq6SH9v |
|---|---|
| InChI | InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3 |
| InChIKey | OOWISQLTVOZJJI-UHFFFAOYSA-N |
| Mol Weight | 145.2 g/mol |
| Molecular Formula | C10H11N |
| Exact Mass | 145.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | flmw9KSzd0 |
|---|---|
| Name | 2,4-Dimethylphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.089149358 u |
| Formula | C10H11N |
| InChI | InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3 |
| InChIKey | OOWISQLTVOZJJI-UHFFFAOYSA-N |
| Molecular Weight | 145.205 g/mol |
| SMILES | C1=C(C(=CC(=C1)C)C)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805398 |