| SpectraBase Compound ID | I63y3XKwFGp |
|---|---|
| InChI | InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h3,7H,1,4-5H2,2H3 |
| InChIKey | WSLQODBTEPJISE-UHFFFAOYSA-N |
| Mol Weight | 109.17 g/mol |
| Molecular Formula | C7H11N |
| Exact Mass | 109.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxUxM02Vm00 |
|---|---|
| Name | 5-Hexenenitrile, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| 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/h3,7H,1,4-5H2,2H3 |
| InChIKey | WSLQODBTEPJISE-UHFFFAOYSA-N |
| Molecular Weight | 109.172 g/mol |
| SMILES | C(C(C#N)C)CC=C |