| SpectraBase Compound ID | 7avAQWrisTU |
|---|---|
| InChI | InChI=1S/C16H11N3O2S/c17-9-11-5-1-2-6-12(11)18-15(20)10-22-16-19-13-7-3-4-8-14(13)21-16/h1-8H,10H2,(H,18,20) |
| InChIKey | NVCOVBKGARWZLI-UHFFFAOYSA-N |
| Mol Weight | 309.34 g/mol |
| Molecular Formula | C16H11N3O2S |
| Exact Mass | 309.057198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20LDeQ7f4pN |
|---|---|
| Name | 2-(1,3-Benzoxazol-2-ylsulfanyl)-N-(2-cyanophenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.057197778 u |
| Formula | C16H11N3O2S |
| InChI | InChI=1S/C16H11N3O2S/c17-9-11-5-1-2-6-12(11)18-15(20)10-22-16-19-13-7-3-4-8-14(13)21-16/h1-8H,10H2,(H,18,20) |
| InChIKey | NVCOVBKGARWZLI-UHFFFAOYSA-N |
| SMILES | N(C(CSC1=NC=2C=CC=CC2O1)=O)C1=C(C#N)C=CC=C1 |