| SpectraBase Compound ID | JkuEbqOtUSp |
|---|---|
| InChI | InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11?,12-,13+,14-,15+,17-/m1/s1 |
| InChIKey | JEJREKXHLFEVHN-QDXGGTILSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C17H21NO5 |
| Exact Mass | 319.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7y1ClQPYVA |
|---|---|
| Name | (-)-anisodine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.141972775 u |
| Formula | C17H21NO5 |
| InChI | InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11?,12-,13+,14-,15+,17-/m1/s1 |
| InChIKey | JEJREKXHLFEVHN-QDXGGTILSA-N |
| Molecular Weight | 319.357 g/mol |
| SMILES | [C@]12([C@@]([C@]3(CC(C[C@@]1(N3C)[H])OC([C@@](C1=CC=CC=C1)(O)CO)=O)[H])(O2)[H])[H] |