| SpectraBase Compound ID | LVxW53Jg2CR |
|---|---|
| InChI | InChI=1S/C16H13NO4S/c1-20-12-7-3-4-8-13(12)21-15(18)10-17-11-6-2-5-9-14(11)22-16(17)19/h2-9H,10H2,1H3 |
| InChIKey | RSNVVGVUOUIJCV-UHFFFAOYSA-N |
| Mol Weight | 315.34 g/mol |
| Molecular Formula | C16H13NO4S |
| Exact Mass | 315.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WPuoqCxjXd |
|---|---|
| Name | 2-Methoxyphenyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.056529073 u |
| Formula | C16H13NO4S |
| InChI | InChI=1S/C16H13NO4S/c1-20-12-7-3-4-8-13(12)21-15(18)10-17-11-6-2-5-9-14(11)22-16(17)19/h2-9H,10H2,1H3 |
| InChIKey | RSNVVGVUOUIJCV-UHFFFAOYSA-N |
| Molecular Weight | 315.343 g/mol |
| SMILES | C(N1C2=CC=CC=C2SC1=O)C(=O)OC1=CC=CC=C1OC |