| SpectraBase Compound ID | Grk5i7pREj4 |
|---|---|
| InChI | InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11) |
| InChIKey | DNGZINUIRBDWED-UHFFFAOYSA-N |
| Mol Weight | 208.24 g/mol |
| Molecular Formula | C9H8N2O2S |
| Exact Mass | 208.030649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HcYphpfpJE |
|---|---|
| Name | Methyl 2-amino-1,3-benzothiazole-6-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.030648678 u |
| Formula | C9H8N2O2S |
| InChI | InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11) |
| InChIKey | DNGZINUIRBDWED-UHFFFAOYSA-N |
| Molecular Weight | 208.235 g/mol |
| SMILES | C1(=CC=C2C(=C1)SC(=N2)N)C(OC)=O |