| SpectraBase Compound ID | 4nCDXFixjAI |
|---|---|
| InChI | InChI=1S/C19H20N2O/c1-14(22)20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3 |
| InChIKey | KLGVRKZVHNSAFM-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C19H20N2O |
| Exact Mass | 292.157563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fUVxO3JkkP |
|---|---|
| Name | 2-Acetyl-1,2,3,4,9,13B-hexahydro-2,4A-diaza-tribenzo[A,C,E]cycloheptene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.157563271 u |
| Formula | C19H20N2O |
| InChI | InChI=1S/C19H20N2O/c1-14(22)20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3 |
| InChIKey | KLGVRKZVHNSAFM-UHFFFAOYSA-N |
| SMILES | C(=O)(C)N1CCN2C=3C=CC=CC3CC=3C=CC=CC3C2C1 |