| SpectraBase Compound ID | d7RR3WZmEx |
|---|---|
| InChI | InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12) |
| InChIKey | CCNCITSJXCSXJY-UHFFFAOYSA-N |
| Mol Weight | 221.1 g/mol |
| Molecular Formula | C7H6Cl2N2S |
| Exact Mass | 219.962875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzdyH4g29YI |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.962874775 u |
| Formula | C7H6Cl2N2S |
| InChI | InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12) |
| InChIKey | CCNCITSJXCSXJY-UHFFFAOYSA-N |
| SMILES | N(C=1C=C(Cl)C(Cl)=CC1)C(=S)N |