| SpectraBase Compound ID | IA7CCI6NyzR |
|---|---|
| InChI | InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)12-8-6-9-11-10-8/h1-6H,(H,9,10,11) |
| InChIKey | USWWPAKLTNIJFL-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C8H7N3S |
| Exact Mass | 177.036068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPQgWSKIZP7 |
|---|---|
| Name | 4-(Phenylthio)-2H-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.036068411 u |
| Formula | C8H7N3S |
| InChI | InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)12-8-6-9-11-10-8/h1-6H,(H,9,10,11) |
| InChIKey | USWWPAKLTNIJFL-UHFFFAOYSA-N |
| Molecular Weight | 177.225 g/mol |
| SMILES | C=1(N=NNC1)SC=1C=CC=CC1 |