| SpectraBase Compound ID | LSiaNevlra1 |
|---|---|
| InChI | InChI=1S/C17H20N4O/c1-11(2)18-17-19-14(16(22)21(17)4)9-12-10-20(3)15-8-6-5-7-13(12)15/h5-11H,1-4H3,(H,18,19)/b14-9+ |
| InChIKey | CLKBQWKHTQJGPL-NTEUORMPSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C17H20N4O |
| Exact Mass | 296.163711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20CShhg5xgR |
|---|---|
| Name | 1-Methyl-2-demethyl-3'-N-isopropylaplysinopsin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.163711279 u |
| Formula | C17H20N4O |
| InChI | InChI=1S/C17H20N4O/c1-11(2)18-17-19-14(16(22)21(17)4)9-12-10-20(3)15-8-6-5-7-13(12)15/h5-11H,1-4H3,(H,18,19)/b14-9+ |
| InChIKey | CLKBQWKHTQJGPL-NTEUORMPSA-N |
| SMILES | C=1(N(C(=O)\C(N1)=C/C1=CN(C)C=2C1=CC=CC2)C)NC(C)C |