| SpectraBase Compound ID | 1EIw9BerKW8 |
|---|---|
| InChI | InChI=1S/C14H14N2O/c1-11-2-4-12(5-3-11)10-16-14(17)13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17) |
| InChIKey | SGDTYNBNLNOSBZ-UHFFFAOYSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C14H14N2O |
| Exact Mass | 226.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKPY8ze78cD |
|---|---|
| Name | N-(4-Methylbenzyl)isonicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.110613078 u |
| Formula | C14H14N2O |
| InChI | InChI=1S/C14H14N2O/c1-11-2-4-12(5-3-11)10-16-14(17)13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17) |
| InChIKey | SGDTYNBNLNOSBZ-UHFFFAOYSA-N |
| Molecular Weight | 226.279 g/mol |
| SMILES | N(C(=O)C=1C=CN=CC1)CC1=CC=C(C)C=C1 |