| SpectraBase Compound ID | FeHr4xF90WD |
|---|---|
| InChI | InChI=1S/C14H9NOS/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h1-9H |
| InChIKey | HCIZWCSGIMQTDC-UHFFFAOYSA-N |
| Mol Weight | 239.29 g/mol |
| Molecular Formula | C14H9NOS |
| Exact Mass | 239.040485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dMdFwKQT3Q |
|---|---|
| Name | 2-Benzoyl-1,3-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.040485087 u |
| Formula | C14H9NOS |
| InChI | InChI=1S/C14H9NOS/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h1-9H |
| InChIKey | HCIZWCSGIMQTDC-UHFFFAOYSA-N |
| Molecular Weight | 239.292 g/mol |
| SMILES | C1(=NC2=CC=CC=C2S1)C(C1=CC=CC=C1)=O |