![1-(3,4-Dichloro-phenyl)-3-[1,2,4]triazol-4-yl-urea](/api/spectrum/5LATz6VScoB/structure.png?h=300&w=458 "1-(3,4-Dichloro-phenyl)-3-[1,2,4]triazol-4-yl-urea")
| SpectraBase Compound ID | 8cxjsiGja9l |
|---|---|
| InChI | InChI=1S/C9H7Cl2N5O/c10-7-2-1-6(3-8(7)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17) |
| InChIKey | ADESXOBKNPNEBE-UHFFFAOYSA-N |
| Mol Weight | 272.09 g/mol |
| Molecular Formula | C9H7Cl2N5O |
| Exact Mass | 271.002765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LATz6VScoB |
|---|---|
| Name | 1-(3,4-Dichloro-phenyl)-3-[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 | 271.002765264 u |
| Formula | C9H7Cl2N5O |
| InChI | InChI=1S/C9H7Cl2N5O/c10-7-2-1-6(3-8(7)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17) |
| InChIKey | ADESXOBKNPNEBE-UHFFFAOYSA-N |
| SMILES | C1=CC(Cl)=C(C=C1NC(NN1C=NN=C1)=O)Cl |