| SpectraBase Compound ID | BCp02ID126t |
|---|---|
| InChI | InChI=1S/C13H19N3S/c17-13(16-12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H2,15,16,17) |
| InChIKey | ACLJMUOWEWLOJO-UHFFFAOYSA-N |
| Mol Weight | 249.38 g/mol |
| Molecular Formula | C13H19N3S |
| Exact Mass | 249.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bqDCDC4G8b |
|---|---|
| Name | N-Cyclohexyl-N'-(4-pyridinylmethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.129968798 u |
| Formula | C13H19N3S |
| InChI | InChI=1S/C13H19N3S/c17-13(16-12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H2,15,16,17) |
| InChIKey | ACLJMUOWEWLOJO-UHFFFAOYSA-N |
| Molecular Weight | 249.376 g/mol |
| SMILES | N(C(=S)NCC1=CC=NC=C1)C1CCCCC1 |