| SpectraBase Compound ID | 5A4w5OH97n2 |
|---|---|
| InChI | InChI=1S/C12H18N4O2S2/c1-13-12(20)16(2)15-11(19)14-8-5-6-9(17-3)10(7-8)18-4/h5-7H,1-4H3,(H,13,20)(H2,14,15,19) |
| InChIKey | XUNZKVHJKWINAD-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C12H18N4O2S2 |
| Exact Mass | 314.087118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5hQdiMgf1f2 |
|---|---|
| Name | 6-(3,4-Dimethoxyphenyl)-1,3-dimethyl-2,5-dithiobiurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.087118182 u |
| Formula | C12H18N4O2S2 |
| InChI | InChI=1S/C12H18N4O2S2/c1-13-12(20)16(2)15-11(19)14-8-5-6-9(17-3)10(7-8)18-4/h5-7H,1-4H3,(H,13,20)(H2,14,15,19) |
| InChIKey | XUNZKVHJKWINAD-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)OC)OC)C(NN(C(NC)=S)C)=S |