| SpectraBase Compound ID | 2D8J4f6S5kn |
|---|---|
| InChI | InChI=1S/C19H22N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1,3-5,7-8,13-14,18,20H,2,6,9-12H2/t13-,14-,18-/m0/s1 |
| InChIKey | IHUSVLJLHIILOZ-DEYYWGMASA-N |
| Mol Weight | 278.4 g/mol |
| Molecular Formula | C19H22N2 |
| Exact Mass | 278.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LNwgC5jRVU |
|---|---|
| Name | 16,17-Dehydroyohimban |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.178298716 u |
| Formula | C19H22N2 |
| InChI | InChI=1S/C19H22N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1,3-5,7-8,13-14,18,20H,2,6,9-12H2/t13-,14-,18-/m0/s1 |
| InChIKey | IHUSVLJLHIILOZ-DEYYWGMASA-N |
| Molecular Weight | 278.399 g/mol |
| SMILES | [C@]12(C3=C(C=4C(N3)=CC=CC4)CCN2C[C@]2([C@](C1)(C=CCC2)[H])[H])[H] |