| SpectraBase Compound ID | 4NRYWMfcwbn |
|---|---|
| InChI | InChI=1S/C11H11NO3S/c1-3-15-11(13)10-12-8-5-4-7(14-2)6-9(8)16-10/h4-6H,3H2,1-2H3 |
| InChIKey | NPDISFVHQWZGNA-UHFFFAOYSA-N |
| Mol Weight | 237.27 g/mol |
| Molecular Formula | C11H11NO3S |
| Exact Mass | 237.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9A0uUU7Pokt |
|---|---|
| Name | Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.045964389 u |
| Formula | C11H11NO3S |
| InChI | InChI=1S/C11H11NO3S/c1-3-15-11(13)10-12-8-5-4-7(14-2)6-9(8)16-10/h4-6H,3H2,1-2H3 |
| InChIKey | NPDISFVHQWZGNA-UHFFFAOYSA-N |
| Molecular Weight | 237.273 g/mol |
| SMILES | C1(=CC=C2C(=C1)SC(=N2)C(OCC)=O)OC |