| SpectraBase Compound ID | CLByuvgZzrK |
|---|---|
| InChI | InChI=1S/C10H11N3S/c1-8-12(2)10(14)11-13(8)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChIKey | OIDGEKTYTCBKLE-UHFFFAOYSA-N |
| Mol Weight | 205.28 g/mol |
| Molecular Formula | C10H11N3S |
| Exact Mass | 205.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nF2Bir0elc |
|---|---|
| Name | 1H-1,2,4-Triazolium, 3-mercapto-4,5-dimethyl-1-phenyl-, hydroxide, inner salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.067368540 u |
| Formula | C10H11N3S |
| InChI | InChI=1S/C10H11N3S/c1-8-12(2)10(14)11-13(8)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChIKey | OIDGEKTYTCBKLE-UHFFFAOYSA-N |
| Molecular Weight | 205.279 g/mol |
| SMILES | C1(=N[N+](=C(N1C)C)C1=CC=CC=C1)[S-] |