| SpectraBase Compound ID | 1ZlhKzEEj9u |
|---|---|
| InChI | InChI=1S/C7H11N/c1-7(2,3)5-4-6-8/h4-5H,1-3H3/b5-4- |
| InChIKey | GCTNTYCHYKCHEK-PLNGDYQASA-N |
| Mol Weight | 109.17 g/mol |
| Molecular Formula | C7H11N |
| Exact Mass | 109.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Jwi0UZY9jd |
|---|---|
| Name | 2-Pentenonitrile, 4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 109.089149358 u |
| Formula | C7H11N |
| InChI | InChI=1S/C7H11N/c1-7(2,3)5-4-6-8/h4-5H,1-3H3/b5-4- |
| InChIKey | GCTNTYCHYKCHEK-PLNGDYQASA-N |
| Molecular Weight | 109.172 g/mol |
| SMILES | C(#N)\C=C/C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953648 |