| SpectraBase Compound ID | Cron9XIqjUl |
|---|---|
| InChI | InChI=1S/C8H6N2O2S2/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | LLDGWHFDLMKSGO-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C8H6N2O2S2 |
| Exact Mass | 225.98707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCjBy12km4l |
|---|---|
| Name | 2-(2-Methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.987069787 u |
| Formula | C8H6N2O2S2 |
| InChI | InChI=1S/C8H6N2O2S2/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | LLDGWHFDLMKSGO-UHFFFAOYSA-N |
| Molecular Weight | 226.268 g/mol |
| SMILES | C=1(C2=NC(C(=O)O)=CS2)N=C(C)SC1 |