| SpectraBase Compound ID | 6reOPY1pWH6 |
|---|---|
| InChI | InChI=1S/C10H7ClN4/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)14-15-10/h1-3,6H,4H2,(H,13,14,15) |
| InChIKey | VQCSCJSXSIZMTK-UHFFFAOYSA-N |
| Mol Weight | 218.65 g/mol |
| Molecular Formula | C10H7ClN4 |
| Exact Mass | 218.035924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdeD7WekeWQ |
|---|---|
| Name | 4H-1,2,4-Triazole-3-acetonitrile, 5-(3-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.035923941 u |
| Formula | C10H7ClN4 |
| InChI | InChI=1S/C10H7ClN4/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)14-15-10/h1-3,6H,4H2,(H,13,14,15) |
| InChIKey | VQCSCJSXSIZMTK-UHFFFAOYSA-N |
| Molecular Weight | 218.647 g/mol |
| SMILES | C(#N)CC=1NC(=NN1)C=1C=CC=C(Cl)C1 |