| SpectraBase Compound ID | 5ybe0aHRFF5 |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-3-8(6-9)5-4-7(2)10/h8H,3-5H2,1-2H3 |
| InChIKey | HSGAPITUQXJICS-UHFFFAOYSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dxMSw6afcg |
|---|---|
| Name | 2-Ethyl-5-keto-hexanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-3-8(6-9)5-4-7(2)10/h8H,3-5H2,1-2H3 |
| InChIKey | HSGAPITUQXJICS-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | CC(CCC(CC)C#N)=O |