| SpectraBase Compound ID | KeiFOBSxgWA |
|---|---|
| InChI | InChI=1S/C8H11N/c1-8(2)6-4-3-5-7-9/h3-6,8H,1-2H3/b5-3-,6-4+ |
| InChIKey | ZIFQUIHLGBRZBM-CIIODKQPSA-N |
| Mol Weight | 121.18 g/mol |
| Molecular Formula | C8H11N |
| Exact Mass | 121.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uNNLchl4si |
|---|---|
| Name | 2,4-Heptadienenitrile, 6-methyl-, (Z,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.089149358 u |
| Formula | C8H11N |
| InChI | InChI=1S/C8H11N/c1-8(2)6-4-3-5-7-9/h3-6,8H,1-2H3/b5-3-,6-4+ |
| InChIKey | ZIFQUIHLGBRZBM-CIIODKQPSA-N |
| Molecular Weight | 121.183 g/mol |
| SMILES | C(#N)\C=C/C=C/C(C)C |