| SpectraBase Compound ID | Jiv4LJQ7mFX |
|---|---|
| InChI | InChI=1S/C21H22N2O/c1-15(24)23-13-10-17(11-14-23)20-19-7-3-2-5-16(19)8-9-18-6-4-12-22-21(18)20/h2-7,12H,8-11,13-14H2,1H3 |
| InChIKey | DUBAGCAHNNYUJQ-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C21H22N2O |
| Exact Mass | 318.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAP5mtIzwQn |
|---|---|
| Name | Azatadine-m (nor-) ac P1020 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.173213335 u |
| Formula | C21H22N2O |
| InChI | InChI=1S/C21H22N2O/c1-15(24)23-13-10-17(11-14-23)20-19-7-3-2-5-16(19)8-9-18-6-4-12-22-21(18)20/h2-7,12H,8-11,13-14H2,1H3 |
| InChIKey | DUBAGCAHNNYUJQ-UHFFFAOYSA-N |
| Molecular Weight | 318.420 g/mol |
| SMILES | C1C2=C(C=CC=C2)C(C=2N=CC=CC2C1)=C1CCN(CC1)C(=O)C |