| SpectraBase Compound ID | IIKB2bnFggk |
|---|---|
| InChI | InChI=1S/C13H11ClFN3S/c1-8-3-2-4-12(16-8)18-13(19)17-9-5-6-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19) |
| InChIKey | AGSKYOXORIFCTE-UHFFFAOYSA-N |
| Mol Weight | 295.76 g/mol |
| Molecular Formula | C13H11ClFN3S |
| Exact Mass | 295.034624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qAe9LGjB58 |
|---|---|
| Name | N-(3-Chloro-4-fluorophenyl)-N'-(6-methyl-2-pyridinyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.034624403 u |
| Formula | C13H11ClFN3S |
| InChI | InChI=1S/C13H11ClFN3S/c1-8-3-2-4-12(16-8)18-13(19)17-9-5-6-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19) |
| InChIKey | AGSKYOXORIFCTE-UHFFFAOYSA-N |
| Molecular Weight | 295.763 g/mol |
| SMILES | N(C(NC=1C=CC(F)=C(C1)Cl)=S)C1=NC(=CC=C1)C |