| SpectraBase Compound ID | DKBHpCz9uD2 |
|---|---|
| InChI | InChI=1S/C21H15NO2S/c23-19(14-25-21-22-18-8-4-5-9-20(18)24-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | XNSUSQOVMAXWQF-UHFFFAOYSA-N |
| Mol Weight | 345.42 g/mol |
| Molecular Formula | C21H15NO2S |
| Exact Mass | 345.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdNb27zGlCf |
|---|---|
| Name | 2-(4-Phenylbenzoylmethylthio)benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.082349899 u |
| Formula | C21H15NO2S |
| InChI | InChI=1S/C21H15NO2S/c23-19(14-25-21-22-18-8-4-5-9-20(18)24-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | XNSUSQOVMAXWQF-UHFFFAOYSA-N |
| Molecular Weight | 345.416 g/mol |
| SMILES | C1=CC=CC2=C1N=C(O2)SCC(C1=CC=C(C=C1)C=1C=CC=CC1)=O |