| SpectraBase Compound ID | 2gJt1zSGu3d |
|---|---|
| InChI | InChI=1S/C12H10ClN3S/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-8H,(H2,15,16,17) |
| InChIKey | KLYYVHJBOBBRKH-UHFFFAOYSA-N |
| Mol Weight | 263.75 g/mol |
| Molecular Formula | C12H10ClN3S |
| Exact Mass | 263.028396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdUfsiFShIK |
|---|---|
| Name | Thiourea, 1-(2-chlorophenyl)-3-(pyridin-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.028396208 u |
| Formula | C12H10ClN3S |
| InChI | InChI=1S/C12H10ClN3S/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-8H,(H2,15,16,17) |
| InChIKey | KLYYVHJBOBBRKH-UHFFFAOYSA-N |
| SMILES | C(NC=1C(=CC=CC1)Cl)(NC=1C=NC=CC1)=S |