| SpectraBase Compound ID | HVzdZaRwfi4 |
|---|---|
| InChI | InChI=1S/C8H7N3S/c1-6-2-4-7(5-3-6)8-9-10-11-12-8/h2-5H,1H3 |
| InChIKey | NGMDCUSUNCVHCM-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C8H7N3S |
| Exact Mass | 177.036068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JsyeKw52MK1 |
|---|---|
| Name | 5-(4-Methylphenyl)-1,2,3,4-thiatriazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N3S |
| InChI | InChI=1S/C8H7N3S/c1-6-2-4-7(5-3-6)8-9-10-11-12-8/h2-5H,1H3 |
| InChIKey | NGMDCUSUNCVHCM-UHFFFAOYSA-N |
| Molecular Weight | 177.225 g/mol |
| SMILES | c1(nnns1)-c1ccc(cc1)C |
| SPLASH | splash10-014i-0900000000-ddcee2378a573401383e |
| Source of Spectrum | SO-0-416-4 |
| Wiley ID | 1541372 |