| SpectraBase Compound ID | AAVmkxrmnt3 |
|---|---|
| InChI | InChI=1S/C20H26N2O/c1-23-20-10-5-4-6-14(20)13-22-11-9-16-15-7-2-3-8-17(15)21-19(16)18(22)12-20/h2-3,7-8,14,18,21H,4-6,9-13H2,1H3/t14-,18-,20+/m0/s1 |
| InChIKey | YVYIYJNDXOHCCV-ADLFWFRXSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C20H26N2O |
| Exact Mass | 310.204513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiOI2gshOre |
|---|---|
| Name | 15-Methoxy-isoyohimbane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.204513464 u |
| Formula | C20H26N2O |
| InChI | InChI=1S/C20H26N2O/c1-23-20-10-5-4-6-14(20)13-22-11-9-16-15-7-2-3-8-17(15)21-19(16)18(22)12-20/h2-3,7-8,14,18,21H,4-6,9-13H2,1H3/t14-,18-,20+/m0/s1 |
| InChIKey | YVYIYJNDXOHCCV-ADLFWFRXSA-N |
| Molecular Weight | 310.441 g/mol |
| SMILES | C=1C=CC=2NC=3[C@@]4(C[C@]5(OC)CCCC[C@]5(CN4CCC3C2C1)[H])[H] |