| SpectraBase Compound ID | 6TfFkKDBLp |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-19-13-4-3-11(9-14(13)20-2)16-6-5-12(18)10-15(16)17-8-7-16/h3-4,9,12,15,17-18H,5-8,10H2,1-2H3/t12-,15+,16+/m1/s1 |
| InChIKey | VIDCAYGUBRUNLE-KCXAZCMYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ugRVWnbClo |
|---|---|
| Name | N-Demethylmesembranol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-19-13-4-3-11(9-14(13)20-2)16-6-5-12(18)10-15(16)17-8-7-16/h3-4,9,12,15,17-18H,5-8,10H2,1-2H3/t12-,15+,16+/m1/s1 |
| InChIKey | VIDCAYGUBRUNLE-KCXAZCMYSA-N |
| SMILES | [C@@]12([C@@](NCC2)(C[C@@](CC1)(O)[H])[H])C1=CC(OC)=C(C=C1)OC |