| SpectraBase Compound ID | C4dUfyKAXlA |
|---|---|
| InChI | InChI=1S/C19H23N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19H,1,8,10-12,20H2/t13-,14-,18+,19+/m0/s1 |
| InChIKey | ILZIKKYERYJBJZ-IXZBZBRVSA-N |
| Mol Weight | 293.41 g/mol |
| Molecular Formula | C19H23N3 |
| Exact Mass | 293.189198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | s3m8CcjXAk |
|---|---|
| Name | (8R,9R)-9-Amino(9-deoxy)epicinchonin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.189197753 u |
| Formula | C19H23N3 |
| InChI | InChI=1S/C19H23N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19H,1,8,10-12,20H2/t13?,14?,18-,19-/m1/s1 |
| InChIKey | ILZIKKYERYJBJZ-IXZBZBRVSA-N |
| SMILES | [C@@]1(N2CCC(C1)C(C2)C=C)([C@@](C1=C2C(=NC=C1)C=CC=C2)(N)[H])[H] |