| SpectraBase Compound ID | KdxcVhfLitM |
|---|---|
| InChI | InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(4-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16) |
| InChIKey | UOWPKVIDUNKFOK-UHFFFAOYSA-N |
| Mol Weight | 237.65 g/mol |
| Molecular Formula | C9H8ClN5O |
| Exact Mass | 237.041738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xox0CjysRr |
|---|---|
| Name | N-(3-Chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.041737597 u |
| Formula | C9H8ClN5O |
| InChI | InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(4-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16) |
| InChIKey | UOWPKVIDUNKFOK-UHFFFAOYSA-N |
| SMILES | N(C(NN1C=NN=C1)=O)C1=CC(Cl)=CC=C1 |