| SpectraBase Compound ID | LrG4rxgapHC |
|---|---|
| InChI | InChI=1S/C16H18N2O/c1-3-12(2)14-6-4-5-7-15(14)18-16(19)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3,(H,18,19) |
| InChIKey | BESRKJJUCLZNQG-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 | 3JXxNWWkUNN |
|---|---|
| Name | N-(2-sec-Butylphenyl)isonicotinamide |
| 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/c1-3-12(2)14-6-4-5-7-15(14)18-16(19)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3,(H,18,19) |
| InChIKey | BESRKJJUCLZNQG-UHFFFAOYSA-N |
| Molecular Weight | 254.333 g/mol |
| SMILES | C(CC)(C)C1=C(NC(=O)C2=CC=NC=C2)C=CC=C1 |