| SpectraBase Compound ID | LkaXJYChOly |
|---|---|
| InChI | InChI=1S/C24H44N2/c1-25-21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-24-20-18-22-26-23-24/h18,20,22-23,25H,2-17,19,21H2,1H3 |
| InChIKey | KWEIGHIEZWMCCD-UHFFFAOYSA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C24H44N2 |
| Exact Mass | 360.350449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmzkWt4jZq4 |
|---|---|
| Name | Demethoxy-hexahydro-xestamine A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.350449425 u |
| Formula | C24H44N2 |
| InChI | InChI=1S/C24H44N2/c1-25-21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-24-20-18-22-26-23-24/h18,20,22-23,25H,2-17,19,21H2,1H3 |
| InChIKey | KWEIGHIEZWMCCD-UHFFFAOYSA-N |
| Molecular Weight | 360.630 g/mol |
| SMILES | C1=NC=CC=C1CCCCCCCCCCCCCCCCCCNC |