| SpectraBase Compound ID | Lky300fzuZY |
|---|---|
| InChI | InChI=1S/C10H9N5S/c1-6-9(16-10-12-14-15-13-10)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3,(H,12,13,14,15) |
| InChIKey | MSCUMPRYSVIQNG-UHFFFAOYSA-N |
| Mol Weight | 231.28 g/mol |
| Molecular Formula | C10H9N5S |
| Exact Mass | 231.057866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20QnHBcyFR0 |
|---|---|
| Name | 3-((1H-Tetrazol-5-yl)thio)-2-methyl-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.057866484 u |
| Formula | C10H9N5S |
| InChI | InChI=1S/C10H9N5S/c1-6-9(16-10-12-14-15-13-10)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3,(H,12,13,14,15) |
| InChIKey | MSCUMPRYSVIQNG-UHFFFAOYSA-N |
| Molecular Weight | 231.277 g/mol |
| SMILES | C=1C=C2C(=C(NC2=CC1)C)SC=1NN=NN1 |