| SpectraBase Compound ID | AFEu4QvV2kZ |
|---|---|
| InChI | InChI=1S/C21H28N2O2/c1-4-14-13-23-10-8-15(14)11-20(23)21(25-3)17-7-9-22-19-6-5-16(24-2)12-18(17)19/h5-7,9,12,14-15,20-21H,4,8,10-11,13H2,1-3H3/t14-,15-,20+,21-/m0/s1 |
| InChIKey | JQFZMKCTSLKTNP-YJPXFSGGSA-N |
| Mol Weight | 340.47 g/mol |
| Molecular Formula | C21H28N2O2 |
| Exact Mass | 340.215078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94wPXNga8Zb |
|---|---|
| Name | Hydroquinidine, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.215078148 u |
| Formula | C21H28N2O2 |
| InChI | InChI=1S/C21H28N2O2/c1-4-14-13-23-10-8-15(14)11-20(23)21(25-3)17-7-9-22-19-6-5-16(24-2)12-18(17)19/h5-7,9,12,14-15,20-21H,4,8,10-11,13H2,1-3H3/t14-,15-,20+,21-/m0/s1 |
| InChIKey | JQFZMKCTSLKTNP-YJPXFSGGSA-N |
| Molecular Weight | 340.467 g/mol |
| SMILES | [C@]1(C[C@]2([C@@](CC)(CN1CC2)[H])[H])([C@](C1=CC=NC=2C=CC(OC)=CC12)(OC)[H])[H] |