| SpectraBase Compound ID | 83aYojdeaGK |
|---|---|
| InChI | InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+ |
| InChIKey | IDEMKXUAULKYJV-BGYRXZFFSA-N |
| Mol Weight | 335.45 g/mol |
| Molecular Formula | C22H25NO2 |
| Exact Mass | 335.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCiYXSd88ca |
|---|---|
| Name | Lobelanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.188529047 u |
| Formula | C22H25NO2 |
| InChI | InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+ |
| InChIKey | IDEMKXUAULKYJV-BGYRXZFFSA-N |
| Molecular Weight | 335.447 g/mol |
| SMILES | CN1[C@@](CC(C=2C=CC=CC2)=O)(CCC[C@]1(CC(C=1C=CC=CC1)=O)[H])[H] |