| SpectraBase Compound ID | DPei7F6uATi |
|---|---|
| InChI | InChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)13-8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
| InChIKey | COIVELZACPMXKL-UHFFFAOYSA-N |
| Mol Weight | 192.24 g/mol |
| Molecular Formula | C8H8N4S |
| Exact Mass | 192.046967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RuCmyPMW7F |
|---|---|
| Name | 5-(4-Methylphenylthio)-1H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.046967448 u |
| Formula | C8H8N4S |
| InChI | InChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)13-8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
| InChIKey | COIVELZACPMXKL-UHFFFAOYSA-N |
| Molecular Weight | 192.240 g/mol |
| SMILES | N1N=NN=C1Sc1ccc(cc1)C |