| SpectraBase Compound ID | 2wruGAZsXxK |
|---|---|
| InChI | InChI=1S/C8H13N/c1-7(2)4-5-8(3)6-9/h8H,1,4-5H2,2-3H3 |
| InChIKey | ZTGXUUIZEAFXFU-UHFFFAOYSA-N |
| Mol Weight | 123.2 g/mol |
| Molecular Formula | C8H13N |
| Exact Mass | 123.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DG1cSVhBY8B |
|---|---|
| Name | 2,5-Dimethyl-5-hexenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.104799423 u |
| Formula | C8H13N |
| InChI | InChI=1S/C8H13N/c1-7(2)4-5-8(3)6-9/h8H,1,4-5H2,2-3H3 |
| InChIKey | ZTGXUUIZEAFXFU-UHFFFAOYSA-N |
| Molecular Weight | 123.199 g/mol |
| SMILES | C(#N)C(CCC(=C)C)C |