| SpectraBase Compound ID | DmTwmIYISEW |
|---|---|
| InChI | InChI=1S/C13H11ClN2O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17) |
| InChIKey | WXGSJKCIBYXPSF-UHFFFAOYSA-N |
| Mol Weight | 246.7 g/mol |
| Molecular Formula | C13H11ClN2O |
| Exact Mass | 246.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8riPpAfbWk2 |
|---|---|
| Name | 4-Chloro-N-(4-pyridinylmethyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.055990681 u |
| Formula | C13H11ClN2O |
| InChI | InChI=1S/C13H11ClN2O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17) |
| InChIKey | WXGSJKCIBYXPSF-UHFFFAOYSA-N |
| Molecular Weight | 246.697 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)NCC1=CC=NC=C1 |