| SpectraBase Compound ID | GRkJ60zsjf4 |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3 |
| InChIKey | ISXQEAJOCDXKAU-UHFFFAOYSA-N |
| Mol Weight | 193.22 g/mol |
| Molecular Formula | C9H7NO2S |
| Exact Mass | 193.01975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5XiYvNu4RgV |
|---|---|
| Name | Methyl benzothiazole-6-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.019749641 u |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3 |
| InChIKey | ISXQEAJOCDXKAU-UHFFFAOYSA-N |
| Molecular Weight | 193.220 g/mol |
| SMILES | C12=C(C=C(C=C2)C(OC)=O)SC=N1 |