| SpectraBase Compound ID | HT4nKIc4JhI |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-10-7-12(9-15)8-11(2)13(10)16-6-4-3-5-14/h7-9H,3-4,6H2,1-2H3 |
| InChIKey | DASOTXQZKAPVND-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SXP5V6OD5t |
|---|---|
| Name | 4-(4-Formyl-2,6-dimethylphenoxy)butanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-10-7-12(9-15)8-11(2)13(10)16-6-4-3-5-14/h7-9H,3-4,6H2,1-2H3 |
| InChIKey | DASOTXQZKAPVND-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C1=C(C=C(C(=C1C)OCCCC#N)C)C=O |