| SpectraBase Compound ID | CEOskqh9Ksx |
|---|---|
| InChI | InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2 |
| InChIKey | XXQSRUYGHFZBEY-UHFFFAOYSA-N |
| Mol Weight | 299.34 g/mol |
| Molecular Formula | C16H13NO3S |
| Exact Mass | 299.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOS1lEKD1UZ |
|---|---|
| Name | 3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.061614454 u |
| Formula | C16H13NO3S |
| InChI | InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2 |
| InChIKey | XXQSRUYGHFZBEY-UHFFFAOYSA-N |
| Molecular Weight | 299.344 g/mol |
| SMILES | C=1C=CC(COC(CN2C(SC3=C2C=CC=C3)=O)=O)=CC1 |