| SpectraBase Compound ID | 95pWwHjZOBA |
|---|---|
| InChI | InChI=1S/C10H12N4O2S/c1-7-5-4-6-8(2)9(7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3 |
| InChIKey | VJYRCWKCISULPT-UHFFFAOYSA-N |
| Mol Weight | 252.29 g/mol |
| Molecular Formula | C10H12N4O2S |
| Exact Mass | 252.068097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3r70rhOph8F |
|---|---|
| Name | 1H-Tetrazole, 1-(2,6-dimethylphenyl)-5-methanesulfonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.068096814 u |
| Formula | C10H12N4O2S |
| InChI | InChI=1S/C10H12N4O2S/c1-7-5-4-6-8(2)9(7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3 |
| InChIKey | VJYRCWKCISULPT-UHFFFAOYSA-N |
| Molecular Weight | 252.292 g/mol |
| SMILES | CC1=C(C(C)=CC=C1)N1C(S(C)(=O)=O)=NN=N1 |