| SpectraBase Compound ID | B848h1rBSqL |
|---|---|
| InChI | InChI=1S/C14H9Cl3N2OS/c15-8-5-6-11(17)12(7-8)18-14(21)19-13(20)9-3-1-2-4-10(9)16/h1-7H,(H2,18,19,20,21) |
| InChIKey | GVLSJVRTOHXDCC-UHFFFAOYSA-N |
| Mol Weight | 359.66 g/mol |
| Molecular Formula | C14H9Cl3N2OS |
| Exact Mass | 357.950117 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApkyLounvN7 |
|---|---|
| Name | 1-(o-Chlorobenzoyl)-3-(2,5-dichlorophenyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.950117191 u |
| Formula | C14H9Cl3N2OS |
| InChI | InChI=1S/C14H9Cl3N2OS/c15-8-5-6-11(17)12(7-8)18-14(21)19-13(20)9-3-1-2-4-10(9)16/h1-7H,(H2,18,19,20,21) |
| InChIKey | GVLSJVRTOHXDCC-UHFFFAOYSA-N |
| Molecular Weight | 359.658 g/mol |
| SMILES | N(C1=C(C=CC(=C1)Cl)Cl)C(NC(=O)C=1C=CC=CC1Cl)=S |