| SpectraBase Compound ID | 4AHh8Oh1Xg0 |
|---|---|
| InChI | InChI=1S/C10H17NO2/c1-9(12)8-10(13)11-6-4-2-3-5-7-11/h8,12H,2-7H2,1H3 |
| InChIKey | ZHBAMLRZNPKMTH-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C10H17NO2 |
| Exact Mass | 183.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lRgMVPmB7e |
|---|---|
| Name | 1-Acetoacetylhexahydro-1H-azepine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.125928789 u |
| Formula | C10H17NO2 |
| InChI | InChI=1S/C10H17NO2/c1-9(12)8-10(13)11-6-4-2-3-5-7-11/h8,12H,2-7H2,1H3 |
| InChIKey | ZHBAMLRZNPKMTH-UHFFFAOYSA-N |
| Molecular Weight | 183.251 g/mol |
| SMILES | OC(C)=CC(N1CCCCCC1)=O |