| SpectraBase Compound ID | 7LtJeNx5zcw |
|---|---|
| InChI | InChI=1S/C13H9Cl2FN2S/c14-9-3-1-2-4-12(9)18-13(19)17-8-5-6-11(16)10(15)7-8/h1-7H,(H2,17,18,19) |
| InChIKey | PQBVMOQUKRBQHK-UHFFFAOYSA-N |
| Mol Weight | 315.19 g/mol |
| Molecular Formula | C13H9Cl2FN2S |
| Exact Mass | 313.984753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | secdBT4v28 |
|---|---|
| Name | N-(3-Chloro-4-fluorophenyl)-N'-(2-chlorophenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.984753035 u |
| Formula | C13H9Cl2FN2S |
| InChI | InChI=1S/C13H9Cl2FN2S/c14-9-3-1-2-4-12(9)18-13(19)17-8-5-6-11(16)10(15)7-8/h1-7H,(H2,17,18,19) |
| InChIKey | PQBVMOQUKRBQHK-UHFFFAOYSA-N |
| Molecular Weight | 315.193 g/mol |
| SMILES | N(C(NC1=CC(Cl)=C(F)C=C1)=S)C1=C(C=CC=C1)Cl |