| SpectraBase Compound ID | 8hYu0hjjQn6 |
|---|---|
| InChI | InChI=1S/C8H9N/c1-2-3-4-5-6-7-8-9/h2-7H,1H3/b3-2-,5-4-,7-6- |
| InChIKey | IHQIRPNNOWWUBA-NQAUEXIDSA-N |
| Mol Weight | 119.17 g/mol |
| Molecular Formula | C8H9N |
| Exact Mass | 119.073499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KckWQFSQbl7 |
|---|---|
| Name | (2Z,4Z,6Z)-Octa-2,4,6-trienenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.073499294 u |
| Formula | C8H9N |
| InChI | InChI=1S/C8H9N/c1-2-3-4-5-6-7-8-9/h2-7H,1H3/b3-2-,5-4-,7-6- |
| InChIKey | IHQIRPNNOWWUBA-NQAUEXIDSA-N |
| Molecular Weight | 119.167 g/mol |
| SMILES | C(#N)\C=C/C=C\C=C/C |