| SpectraBase Compound ID | px5GgyyMVz |
|---|---|
| InChI | InChI=1S/C20H22N2OS/c1-3-14-22(17(2)23)20(24)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h3-13H,1,14-16H2,2H3 |
| InChIKey | VZRAPAUKDJJITA-UHFFFAOYSA-N |
| Mol Weight | 338.47 g/mol |
| Molecular Formula | C20H22N2OS |
| Exact Mass | 338.145285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pir7xJAOdB |
|---|---|
| Name | N'-Allyl-N,N-dibenzylthiourea, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.145284509 u |
| Formula | C20H22N2OS |
| InChI | InChI=1S/C20H22N2OS/c1-3-14-22(17(2)23)20(24)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h3-13H,1,14-16H2,2H3 |
| InChIKey | VZRAPAUKDJJITA-UHFFFAOYSA-N |
| Molecular Weight | 338.469 g/mol |
| SMILES | C(=S)(N(CC1=CC=CC=C1)CC1=CC=CC=C1)N(CC=C)C(=O)C |