![2-[2-Quinolinyl]methylenequinuclidine-3-one](/api/spectrum/4eV3EYPteV3/structure.png?h=300&w=458 "2-[2-Quinolinyl]methylenequinuclidine-3-one")
| SpectraBase Compound ID | CDnd96i2OIb |
|---|---|
| InChI | InChI=1S/C17H16N2O/c20-17-13-7-9-19(10-8-13)16(17)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-6,11,13H,7-10H2/b16-11+ |
| InChIKey | IFOKHQWTJVDXGO-LFIBNONCSA-N |
| Mol Weight | 264.33 g/mol |
| Molecular Formula | C17H16N2O |
| Exact Mass | 264.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4eV3EYPteV3 |
|---|---|
| Name | 2-[2-Quinolinyl]methylenequinuclidine-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.126263142 u |
| Formula | C17H16N2O |
| InChI | InChI=1S/C17H16N2O/c20-17-13-7-9-19(10-8-13)16(17)11-14-6-5-12-3-1-2-4-15(12)18-14/h1-6,11,13H,7-10H2/b16-11+ |
| InChIKey | IFOKHQWTJVDXGO-LFIBNONCSA-N |
| Molecular Weight | 264.328 g/mol |
| SMILES | C1=CC2=CC=C(N=C2C=C1)\C=C/1N2CCC(C1=O)CC2 |