| SpectraBase Compound ID | lEqSkfYtvh |
|---|---|
| InChI | InChI=1S/C15H12N2O/c1-11-3-2-4-13(9-11)15(18)17-14-7-5-12(10-16)6-8-14/h2-9H,1H3,(H,17,18) |
| InChIKey | SUGBEAJLPVSROX-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C15H12N2O |
| Exact Mass | 236.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuuXKV0qtMi |
|---|---|
| Name | N-(4-Cyano-phenyl)-3-methyl-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.094963013 u |
| Formula | C15H12N2O |
| InChI | InChI=1S/C15H12N2O/c1-11-3-2-4-13(9-11)15(18)17-14-7-5-12(10-16)6-8-14/h2-9H,1H3,(H,17,18) |
| InChIKey | SUGBEAJLPVSROX-UHFFFAOYSA-N |
| Molecular Weight | 236.274 g/mol |
| SMILES | C=1(C(NC2=CC=C(C#N)C=C2)=O)C=C(C=CC1)C |