| SpectraBase Compound ID | 9sdc6Zs0bgd |
|---|---|
| InChI | InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13) |
| InChIKey | XGLHJEZLNGXEAZ-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C9H9N3S |
| Exact Mass | 191.051718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HReuQ8qD6WL |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.051718476 u |
| Formula | C9H9N3S |
| InChI | InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13) |
| InChIKey | XGLHJEZLNGXEAZ-UHFFFAOYSA-N |
| Molecular Weight | 191.252 g/mol |
| SMILES | SC=1N(C(=NN1)C1=CC=CC=C1)C |