| SpectraBase Compound ID | 3xC8ntcuFjF |
|---|---|
| InChI | InChI=1S/C18H19N3S/c19-12-7-13-21(15-17-10-5-2-6-11-17)18(22)20-14-16-8-3-1-4-9-16/h1-6,8-11H,7,13-15H2,(H,20,22) |
| InChIKey | YHRSFAXBHAVBJO-UHFFFAOYSA-N |
| Mol Weight | 309.43 g/mol |
| Molecular Formula | C18H19N3S |
| Exact Mass | 309.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xZ7c30f6pr |
|---|---|
| Name | N,N'-Dibenzyl-N-(2-cyanoethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.129968798 u |
| Formula | C18H19N3S |
| InChI | InChI=1S/C18H19N3S/c19-12-7-13-21(15-17-10-5-2-6-11-17)18(22)20-14-16-8-3-1-4-9-16/h1-6,8-11H,7,13-15H2,(H,20,22) |
| InChIKey | YHRSFAXBHAVBJO-UHFFFAOYSA-N |
| Molecular Weight | 309.431 g/mol |
| SMILES | N(C(N(CC1=CC=CC=C1)CCC#N)=S)CC1=CC=CC=C1 |