| SpectraBase Compound ID | E9XVcrNKHCc |
|---|---|
| InChI | InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5- |
| InChIKey | JAIOXBDVPQJCCD-WAYWQWQTSA-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 | DbFNrCpayfX |
|---|---|
| Name | (Z)-2-Heptenenitrile |
| 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/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5- |
| InChIKey | JAIOXBDVPQJCCD-WAYWQWQTSA-N |
| Molecular Weight | 109.172 g/mol |
| SMILES | C(#N)\C=C/CCCC |