| SpectraBase Compound ID | BQWs1qSibDt |
|---|---|
| InChI | InChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19) |
| InChIKey | KDHOWTVYQKITMO-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C16H18N2O |
| Exact Mass | 254.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQj1KcNP3ct |
|---|---|
| Name | 4-Butyl-N-(pyridin-3-yl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.141913207 u |
| Formula | C16H18N2O |
| InChI | InChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19) |
| InChIKey | KDHOWTVYQKITMO-UHFFFAOYSA-N |
| Molecular Weight | 254.333 g/mol |
| SMILES | C1(NC(=O)C2=CC=C(C=C2)CCCC)=CN=CC=C1 |