| SpectraBase Compound ID | 3yCpaGk9Cea |
|---|---|
| InChI | InChI=1S/C9H8N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | GEVBBQNWDQJVTA-UHFFFAOYSA-N |
| Mol Weight | 176.24 g/mol |
| Molecular Formula | C9H8N2S |
| Exact Mass | 176.040819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xQ4AdXMxh1 |
|---|---|
| Name | 2-Methyl-5-phenyl-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.040819440 u |
| Formula | C9H8N2S |
| InChI | InChI=1S/C9H8N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | GEVBBQNWDQJVTA-UHFFFAOYSA-N |
| Molecular Weight | 176.237 g/mol |
| SMILES | C1(=NN=C(C2=CC=CC=C2)S1)C |