![Acetic acid, 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-](/api/spectrum/2gy6rUPKMQ0/structure.png?h=300&w=458 "Acetic acid, 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-")
| SpectraBase Compound ID | K79WAFAipuS |
|---|---|
| InChI | InChI=1S/C4H6N4O2S/c1-8-4(5-6-7-8)11-2-3(9)10/h2H2,1H3,(H,9,10) |
| InChIKey | SAKPCQKTTXWGQA-UHFFFAOYSA-N |
| Mol Weight | 174.18 g/mol |
| Molecular Formula | C4H6N4O2S |
| Exact Mass | 174.021147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gy6rUPKMQ0 |
|---|---|
| Name | Acetic acid, 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.021146621 u |
| Formula | C4H6N4O2S |
| InChI | InChI=1S/C4H6N4O2S/c1-8-4(5-6-7-8)11-2-3(9)10/h2H2,1H3,(H,9,10) |
| InChIKey | SAKPCQKTTXWGQA-UHFFFAOYSA-N |
| SMILES | C=1(N(C)N=NN1)SCC(=O)O |