| SpectraBase Compound ID | A1Dw22IE2xP |
|---|---|
| InChI | InChI=1S/C15H21NO/c1-13-6-8-14(9-7-13)15(17)12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | AJJNHVCBFOXXBU-UHFFFAOYSA-N |
| Mol Weight | 231.34 g/mol |
| Molecular Formula | C15H21NO |
| Exact Mass | 231.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UYfIPpc5kc |
|---|---|
| Name | 2-(1-Azepino)-4'-methylacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.162314299 u |
| Formula | C15H21NO |
| InChI | InChI=1S/C15H21NO/c1-13-6-8-14(9-7-13)15(17)12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | AJJNHVCBFOXXBU-UHFFFAOYSA-N |
| Molecular Weight | 231.339 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(CN1CCCCCC1)=O |