| SpectraBase Compound ID | Blr6UUkWsyw |
|---|---|
| InChI | InChI=1S/C15H20N2O3/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20/h5-7,12H,1-4,8-11H2 |
| InChIKey | QNMJTXJJZVGMLU-UHFFFAOYSA-N |
| Mol Weight | 276.34 g/mol |
| Molecular Formula | C15H20N2O3 |
| Exact Mass | 276.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gcADSmW1KH |
|---|---|
| Name | 3-(Hexahydro-1-azepinyl)-3'-nitropropiophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.147392509 u |
| Formula | C15H20N2O3 |
| InChI | InChI=1S/C15H20N2O3/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20/h5-7,12H,1-4,8-11H2 |
| InChIKey | QNMJTXJJZVGMLU-UHFFFAOYSA-N |
| Molecular Weight | 276.336 g/mol |
| SMILES | C1=C(C=CC=C1N(=O)=O)C(CCN1CCCCCC1)=O |