| SpectraBase Compound ID | 2FWEAsppgYj |
|---|---|
| InChI | InChI=1S/C25H35NO3/c1-21(2)19-26(3)25(27)15-13-11-9-7-5-4-6-8-10-12-14-22-16-17-23-24(18-22)29-20-28-23/h9,11-18,21H,4-8,10,19-20H2,1-3H3/b11-9+,14-12+,15-13+ |
| InChIKey | XCTNMWMUCNORJS-NLCRFJRRSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C25H35NO3 |
| Exact Mass | 397.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuO8h2F7rdI |
|---|---|
| Name | Guineensine, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.261693988 u |
| Formula | C25H35NO3 |
| InChI | InChI=1S/C25H35NO3/c1-21(2)19-26(3)25(27)15-13-11-9-7-5-4-6-8-10-12-14-22-16-17-23-24(18-22)29-20-28-23/h9,11-18,21H,4-8,10,19-20H2,1-3H3/b11-9+,14-12+,15-13+ |
| InChIKey | XCTNMWMUCNORJS-NLCRFJRRSA-N |
| Molecular Weight | 397.559 g/mol |
| SMILES | C(N(CC(C)C)C)(=O)\C=C\C=C\CCCCCC\C=C\C=1C=CC=2OCOC2C1 |