| SpectraBase Compound ID | 8XsHz2OxEom |
|---|---|
| InChI | InChI=1S/C17H14N2O2S/c20-17(18-15-11-12-21-19-15)16(13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-12,16H,(H,18,19,20) |
| InChIKey | QWZOYQCULBZQEU-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H14N2O2S |
| Exact Mass | 310.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4zQLpKt4iX |
|---|---|
| Name | N-(3-Isoxazolyl)-2-phenyl-2-(phenylsulfanyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.077598871 u |
| Formula | C17H14N2O2S |
| InChI | InChI=1S/C17H14N2O2S/c20-17(18-15-11-12-21-19-15)16(13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-12,16H,(H,18,19,20) |
| InChIKey | QWZOYQCULBZQEU-UHFFFAOYSA-N |
| SMILES | N(C1=NOC=C1)C(C(SC1=CC=CC=C1)C=1C=CC=CC1)=O |