| SpectraBase Compound ID | AZQaJMIfUJs |
|---|---|
| InChI | InChI=1S/C18H21N3O2/c1-21-10-12(18(23)19-5-6-22)7-14-13-3-2-4-15-17(13)11(9-20-15)8-16(14)21/h2-4,7,9,12,16,20,22H,5-6,8,10H2,1H3,(H,19,23)/t12-,16-/m1/s1 |
| InChIKey | MASOQEHOSJDSMH-MLGOLLRUSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C18H21N3O2 |
| Exact Mass | 311.163377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10G86GgHqtQ |
|---|---|
| Name | Lysergic acid hydroxyethylamide in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.163376926 u |
| Formula | C18H21N3O2 |
| InChI | InChI=1S/C18H21N3O2/c1-21-10-12(18(23)19-5-6-22)7-14-13-3-2-4-15-17(13)11(9-20-15)8-16(14)21/h2-4,7,9,12,16,20,22H,5-6,8,10H2,1H3,(H,19,23)/t12-,16-/m1/s1 |
| InChIKey | MASOQEHOSJDSMH-MLGOLLRUSA-N |
| SMILES | N(C([C@]1(CN([C@@]2(CC=3C=4C(NC3)=CC=CC4C2=C1)[H])C)[H])=O)CCO |