| SpectraBase Compound ID | EXRDvsoLm5Y |
|---|---|
| InChI | InChI=1S/C12H9Cl2N3S/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18) |
| InChIKey | YRASDJHMSLQFFN-UHFFFAOYSA-N |
| Mol Weight | 298.19 g/mol |
| Molecular Formula | C12H9Cl2N3S |
| Exact Mass | 296.989424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GU2oZgXOnJ |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-3-(2-pyridyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.989423876 u |
| Formula | C12H9Cl2N3S |
| InChI | InChI=1S/C12H9Cl2N3S/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18) |
| InChIKey | YRASDJHMSLQFFN-UHFFFAOYSA-N |
| Molecular Weight | 298.191 g/mol |
| SMILES | C1=CC=C(NC(NC2=CC=C(C(=C2)Cl)Cl)=S)N=C1 |