| SpectraBase Compound ID | C9owHnwIDdv |
|---|---|
| InChI | InChI=1S/C14H13NO/c15-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16/h5-9H,1-4H2/b13-9+ |
| InChIKey | NALJLPMCDIOCPH-UKTHLTGXSA-N |
| Mol Weight | 211.26 g/mol |
| Molecular Formula | C14H13NO |
| Exact Mass | 211.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOoMXnjlS6m |
|---|---|
| Name | 4-(2-oxo-Cyclohexylidenemethyl)-benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.099714042 u |
| Formula | C14H13NO |
| InChI | InChI=1S/C14H13NO/c15-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16/h5-9H,1-4H2/b13-9+ |
| InChIKey | NALJLPMCDIOCPH-UKTHLTGXSA-N |
| Molecular Weight | 211.264 g/mol |
| SMILES | C1C(\C(=C\C2=CC=C(C=C2)C#N)CCC1)=O |