| SpectraBase Compound ID | 3wwPUNunmaI |
|---|---|
| InChI | InChI=1S/C14H12N2O/c1-17-14-8-6-13(7-9-14)16-12-4-2-11(10-15)3-5-12/h2-9,16H,1H3 |
| InChIKey | ADFFIBFCJODNOW-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C14H12N2O |
| Exact Mass | 224.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kPvk5N2yLq |
|---|---|
| Name | 4-((4-Methoxyphenyl)amino)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.094963013 u |
| Formula | C14H12N2O |
| InChI | InChI=1S/C14H12N2O/c1-17-14-8-6-13(7-9-14)16-12-4-2-11(10-15)3-5-12/h2-9,16H,1H3 |
| InChIKey | ADFFIBFCJODNOW-UHFFFAOYSA-N |
| Molecular Weight | 224.263 g/mol |
| SMILES | C(#N)C1=CC=C(NC=2C=CC(=CC2)OC)C=C1 |