| SpectraBase Compound ID | 8ntjs81aKQq |
|---|---|
| InChI | InChI=1S/C16H14N2O2/c19-16(13-7-4-8-17-11-13)10-14-9-15(18-20-14)12-5-2-1-3-6-12/h1-8,11,14H,9-10H2 |
| InChIKey | BXEFKDDKQQXUAL-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C16H14N2O2 |
| Exact Mass | 266.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TlTRpKF0pM |
|---|---|
| Name | 5-(2-oxo-2-(3-Pyridyl)ethyl)-3-phenyl-2-isoxazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.105527697 u |
| Formula | C16H14N2O2 |
| InChI | InChI=1S/C16H14N2O2/c19-16(13-7-4-8-17-11-13)10-14-9-15(18-20-14)12-5-2-1-3-6-12/h1-8,11,14H,9-10H2 |
| InChIKey | BXEFKDDKQQXUAL-UHFFFAOYSA-N |
| Molecular Weight | 266.300 g/mol |
| SMILES | C1(=NOC(C1)CC(C=1C=NC=CC1)=O)C=1C=CC=CC1 |