| SpectraBase Compound ID | CZHzmI79YGh |
|---|---|
| InChI | InChI=1S/C10H8N6OS/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8-11-15-16-12-8/h2-5H,1H3,(H,11,12,15,16) |
| InChIKey | YPQHPYWFTWHTBB-UHFFFAOYSA-N |
| Mol Weight | 260.27 g/mol |
| Molecular Formula | C10H8N6OS |
| Exact Mass | 260.04803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WcLo7951Ka |
|---|---|
| Name | 2-(4-Methoxyphenyl)-5-(2H-1,2,3,4-tetrazol-5-yl)-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.048030075 u |
| Formula | C10H8N6OS |
| InChI | InChI=1S/C10H8N6OS/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8-11-15-16-12-8/h2-5H,1H3,(H,11,12,15,16) |
| InChIKey | YPQHPYWFTWHTBB-UHFFFAOYSA-N |
| SMILES | C=1(SC(=NN1)C=1NN=NN1)C=1C=CC(=CC1)OC |