| SpectraBase Compound ID | 8oBcGxfLkMo |
|---|---|
| InChI | InChI=1S/C9H7Cl2N5S/c10-5-2-1-3-6(7(5)11)14-9(17)15-8-12-4-13-16-8/h1-4H,(H3,12,13,14,15,16,17) |
| InChIKey | DEPILNQQIRPPSF-UHFFFAOYSA-N |
| Mol Weight | 288.16 g/mol |
| Molecular Formula | C9H7Cl2N5S |
| Exact Mass | 286.979922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lp9H24GemZN |
|---|---|
| Name | 1-(2,3-Dichlorophenyl)-2-thio-3-(1H-1,2,4-triazol-3-yl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.979921819 u |
| Formula | C9H7Cl2N5S |
| InChI | InChI=1S/C9H7Cl2N5S/c10-5-2-1-3-6(7(5)11)14-9(17)15-8-12-4-13-16-8/h1-4H,(H3,12,13,14,15,16,17) |
| InChIKey | DEPILNQQIRPPSF-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(=CC=C1)Cl)Cl)C(NC=1N=CNN1)=S |