| SpectraBase Compound ID | GUNDjpRBRtk |
|---|---|
| InChI | InChI=1S/C20H28N2O/c1-3-19-9-5-12-22-13-11-20(18(19)22)14-6-4-7-15(23-2)17(14)21-16(20)8-10-19/h4,6-7,16,18,21H,3,5,8-13H2,1-2H3/t16-,18?,19-,20?/m1/s1 |
| InChIKey | NGBPTTMEDUDCAG-IHJVYAAUSA-N |
| Mol Weight | 312.46 g/mol |
| Molecular Formula | C20H28N2O |
| Exact Mass | 312.220164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7CqL8JrRvz |
|---|---|
| Name | Quebrachamine - methoxy derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.220163529 u |
| Formula | C20H28N2O |
| InChI | InChI=1S/C20H28N2O/c1-3-19-9-5-12-22-13-11-20(18(19)22)14-6-4-7-15(23-2)17(14)21-16(20)8-10-19/h4,6-7,16,18,21H,3,5,8-13H2,1-2H3/t16-,18?,19-,20?/m1/s1 |
| InChIKey | NGBPTTMEDUDCAG-IHJVYAAUSA-N |
| Molecular Weight | 312.457 g/mol |
| SMILES | C123C=4C(=C(OC)C=CC4)N[C@@]1(CC[C@@]1(C2N(CCC1)CC3)CC)[H] |