| SpectraBase Compound ID | IvuJPDWt3ln |
|---|---|
| InChI | InChI=1S/C10H9N3OS/c1-7(14)15-10-11-9(12-13-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13) |
| InChIKey | FDIYMSRRMSWKRY-UHFFFAOYSA-N |
| Mol Weight | 219.26 g/mol |
| Molecular Formula | C10H9N3OS |
| Exact Mass | 219.046633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8s2QT82TFz |
|---|---|
| Name | 3-Phenyl-5-acetylthio-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.046633095 u |
| Formula | C10H9N3OS |
| InChI | InChI=1S/C10H9N3OS/c1-7(14)15-10-11-9(12-13-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13) |
| InChIKey | FDIYMSRRMSWKRY-UHFFFAOYSA-N |
| Molecular Weight | 219.262 g/mol |
| SMILES | C=1(N=C(SC(C)=O)NN1)C1=CC=CC=C1 |