| SpectraBase Compound ID | 82z9BM8PvD5 |
|---|---|
| InChI | InChI=1S/C8H7N3O/c9-5-4-8(12)11-7-3-1-2-6-10-7/h1-3,6H,4H2,(H,10,11,12) |
| InChIKey | PMEKHNOMXFPLAK-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C8H7N3O |
| Exact Mass | 161.058912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jVnF8OSR17 |
|---|---|
| Name | 2-Cyano-N-(2-pyridinyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.058911856 u |
| Formula | C8H7N3O |
| InChI | InChI=1S/C8H7N3O/c9-5-4-8(12)11-7-3-1-2-6-10-7/h1-3,6H,4H2,(H,10,11,12) |
| InChIKey | PMEKHNOMXFPLAK-UHFFFAOYSA-N |
| Molecular Weight | 161.164 g/mol |
| SMILES | C1(NC(=O)CC#N)=CC=CC=N1 |