| SpectraBase Compound ID | GpmYRjvw2dk |
|---|---|
| InChI | InChI=1S/C22H28N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h5-7,9,12,15-16,21-22H,4,8,10-11,13H2,1-3H3/t15-,16-,21+,22-/m0/s1 |
| InChIKey | ZVEDOOXEZTUEBN-FRMGNDQPSA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FcxVusiRqm |
|---|---|
| Name | Hydroquinidine, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.209992767 u |
| Formula | C22H28N2O3 |
| InChI | InChI=1S/C22H28N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h5-7,9,12,15-16,21-22H,4,8,10-11,13H2,1-3H3/t15-,16-,21+,22-/m0/s1 |
| InChIKey | ZVEDOOXEZTUEBN-FRMGNDQPSA-N |
| Molecular Weight | 368.477 g/mol |
| SMILES | [C@]1(C[C@]2([C@@](CC)(CN1CC2)[H])[H])([C@](C1=CC=NC=2C=CC(OC)=CC12)(OC(=O)C)[H])[H] |