| SpectraBase Compound ID | 8dVxseseGuG |
|---|---|
| InChI | InChI=1S/C12H10ClN3O/c13-10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17) |
| InChIKey | WBWWSWMRKDXLHF-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C12H10ClN3O |
| Exact Mass | 247.05124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0l6MvGsRNK |
|---|---|
| Name | N-(4-Chlorobenzyl)-2-pyrazinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.051239653 u |
| Formula | C12H10ClN3O |
| InChI | InChI=1S/C12H10ClN3O/c13-10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17) |
| InChIKey | WBWWSWMRKDXLHF-UHFFFAOYSA-N |
| Molecular Weight | 247.685 g/mol |
| SMILES | N(CC1=CC=C(C=C1)Cl)C(C1=NC=CN=C1)=O |