![1H-azepine, hexahydro-1-[[5-(4-methylphenyl)-3-isoxazolyl]carbonyl]-](/api/spectrum/7y8AeJIoEkK/structure.png?h=300&w=458 "1H-azepine, hexahydro-1-[[5-(4-methylphenyl)-3-isoxazolyl]carbonyl]-")
| SpectraBase Compound ID | 8oY3mopb3iZ |
|---|---|
| InChI | InChI=1S/C17H20N2O2/c1-13-6-8-14(9-7-13)16-12-15(18-21-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3 |
| InChIKey | QGZPNUGWIAAZNY-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C17H20N2O2 |
| Exact Mass | 284.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7y8AeJIoEkK |
|---|---|
| Name | 1H-Azepine, hexahydro-1-[[5-(4-methylphenyl)-3-isoxazolyl]carbonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.152477890 u |
| Formula | C17H20N2O2 |
| InChI | InChI=1S/C17H20N2O2/c1-13-6-8-14(9-7-13)16-12-15(18-21-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3 |
| InChIKey | QGZPNUGWIAAZNY-UHFFFAOYSA-N |
| SMILES | C1(=NOC(=C1)C1=CC=C(C=C1)C)C(N1CCCCCC1)=O |