| SpectraBase Compound ID | F3puiM7Rr61 |
|---|---|
| InChI | InChI=1S/C16H17N3S2/c1-17-15(20)18-16(21-2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,17,20)/b18-16- |
| InChIKey | ZGZBOJXRNVYVBP-VLGSPTGOSA-N |
| Mol Weight | 315.45 g/mol |
| Molecular Formula | C16H17N3S2 |
| Exact Mass | 315.08639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gegiq9M4TU |
|---|---|
| Name | 2,5-Dimethyl-1,1-diphenyl-2-pseudodithiobiuret |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.086389907 u |
| Formula | C16H17N3S2 |
| InChI | InChI=1S/C16H17N3S2/c1-17-15(20)18-16(21-2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,17,20)/b18-16- |
| InChIKey | ZGZBOJXRNVYVBP-VLGSPTGOSA-N |
| Molecular Weight | 315.453 g/mol |
| SMILES | C1(=CC=CC=C1)N(C=1C=CC=CC1)\C(=N\C(NC)=S)SC |