| SpectraBase Compound ID | gPkAs4LVwp |
|---|---|
| InChI | InChI=1S/C13H19N3S/c17-13(16-12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,15,16,17) |
| InChIKey | WPJMQPDQKNHQOS-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 | 2ApvLeg706Q |
|---|---|
| Name | Thiourea, 1-cyclohexylmethyl-3-(pyridin-3-yl)- |
| 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(16-12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,15,16,17) |
| InChIKey | WPJMQPDQKNHQOS-UHFFFAOYSA-N |
| Molecular Weight | 249.376 g/mol |
| SMILES | C(NC=1C=NC=CC1)(=S)NCC1CCCCC1 |