| SpectraBase Compound ID | BbZrbxVoVwZ |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-5H2,1H3 |
| InChIKey | BZEDOUOYONZTRD-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZg0ig3pYEt |
|---|---|
| Name | 6-Ketoenanthonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-5H2,1H3 |
| InChIKey | BZEDOUOYONZTRD-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(CCCC(C)=O)C#N |