| SpectraBase Compound ID | EPO0vt0nTh |
|---|---|
| InChI | InChI=1S/C14H10ClN3S/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19) |
| InChIKey | XIELBKDRPADWNU-UHFFFAOYSA-N |
| Mol Weight | 287.77 g/mol |
| Molecular Formula | C14H10ClN3S |
| Exact Mass | 287.028396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEJ3JUSlkWu |
|---|---|
| Name | N-(2-Cyanophenyl)-N'-(2-chlorophenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.028396208 u |
| Formula | C14H10ClN3S |
| InChI | InChI=1S/C14H10ClN3S/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19) |
| InChIKey | XIELBKDRPADWNU-UHFFFAOYSA-N |
| Molecular Weight | 287.768 g/mol |
| SMILES | C(NC=1C(=CC=CC1)C#N)(=S)NC=1C(=CC=CC1)Cl |