| SpectraBase Compound ID | FYOCTX3TjQO |
|---|---|
| InChI | InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h4-5,7H,3H2,1-2H3/b5-4- |
| InChIKey | BPRRVWSZQDGBBK-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 | 1gHZcNfWbNw |
|---|---|
| Name | 3-Hexenenitrile, 2-methyl-, (E)- |
| 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/c1-3-4-5-7(2)6-8/h4-5,7H,3H2,1-2H3/b5-4- |
| InChIKey | BPRRVWSZQDGBBK-PLNGDYQASA-N |
| Molecular Weight | 109.172 g/mol |
| SMILES | C(#N)C(\C=C/CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952054 |