| SpectraBase Compound ID | 5KVYFgUnXXN |
|---|---|
| InChI | InChI=1S/C12H12N6S2/c1-2-10(6-20-12-14-8-16-18-12)4-3-9(1)5-19-11-13-7-15-17-11/h1-4,7-8H,5-6H2,(H,13,15,17)(H,14,16,18) |
| InChIKey | PAZRPGAWBXLEAJ-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C12H12N6S2 |
| Exact Mass | 304.056487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DG78y0L3RH |
|---|---|
| Name | Benzene, 1,4-di(4H-1,2,4-triazol-3-ylthiomethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.056486758 u |
| Formula | C12H12N6S2 |
| InChI | InChI=1S/C12H12N6S2/c1-2-10(6-20-12-14-8-16-18-12)4-3-9(1)5-19-11-13-7-15-17-11/h1-4,7-8H,5-6H2,(H,13,15,17)(H,14,16,18) |
| InChIKey | PAZRPGAWBXLEAJ-UHFFFAOYSA-N |
| Molecular Weight | 304.390 g/mol |
| SMILES | C=1(NC=NN1)SCC=1C=CC(CSC=2NC=NN2)=CC1 |