| SpectraBase Compound ID | AYWiJbCCuju |
|---|---|
| InChI | InChI=1S/C17H15NO3S/c1-3-20-15-10-12(8-9-14(15)21-11(2)19)17-18-13-6-4-5-7-16(13)22-17/h4-10H,3H2,1-2H3 |
| InChIKey | MGMBHYFLUIBMME-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C17H15NO3S |
| Exact Mass | 313.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fJOthAlrGt |
|---|---|
| Name | 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol, o-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.077264518 u |
| Formula | C17H15NO3S |
| InChI | InChI=1S/C17H15NO3S/c1-3-20-15-10-12(8-9-14(15)21-11(2)19)17-18-13-6-4-5-7-16(13)22-17/h4-10H,3H2,1-2H3 |
| InChIKey | MGMBHYFLUIBMME-UHFFFAOYSA-N |
| Molecular Weight | 313.371 g/mol |
| SMILES | C1(=C(C=C(C=C1)C=1SC2=CC=CC=C2N1)OCC)OC(=O)C |