| SpectraBase Compound ID | sSLTKqsuEB |
|---|---|
| InChI | InChI=1S/C9H9N3S/c1-12-8(10-9(13)11-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13) |
| InChIKey | GCQKZEMYZNXTDB-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C9H9N3S |
| Exact Mass | 191.051718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HtL5Pz0xCSa |
|---|---|
| Name | 2-Methyl-3-phenyl-1H-1,2,4-triazole-5-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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(10-9(13)11-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13) |
| InChIKey | GCQKZEMYZNXTDB-UHFFFAOYSA-N |
| Molecular Weight | 191.252 g/mol |
| SMILES | C1(=NC(NN1C)=S)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973577 |