| SpectraBase Compound ID | FkVOg6Gq56b |
|---|---|
| InChI | InChI=1S/C13H11ClN2S2/c14-9-5-7-10(8-6-9)15-13(18)16-11-3-1-2-4-12(11)17/h1-8,17H,(H2,15,16,18) |
| InChIKey | XJUDCFNODQFPMN-UHFFFAOYSA-N |
| Mol Weight | 294.82 g/mol |
| Molecular Formula | C13H11ClN2S2 |
| Exact Mass | 294.005218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMsaA0LwcXZ |
|---|---|
| Name | 1-(p-Chlorophenyl)-3-(o-mercaptophenyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.005218410 u |
| Formula | C13H11ClN2S2 |
| InChI | InChI=1S/C13H11ClN2S2/c14-9-5-7-10(8-6-9)15-13(18)16-11-3-1-2-4-12(11)17/h1-8,17H,(H2,15,16,18) |
| InChIKey | XJUDCFNODQFPMN-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(Cl)C=C1)C(=S)NC=1C=CC=CC1S |