| SpectraBase Compound ID | FnwYMpqlYeN |
|---|---|
| InChI | InChI=1S/2C20H25N3O.C4H6O6.2CH4O/c2*1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;5-1(3(7)8)2(6)4(9)10;2*1-2/h2*6-9,11,14,18,21H,4-5,10,12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);2*2H,1H3/t2*14-,18-;1-,2-;;/m110../s1 |
| InChIKey | GANNSFZIRKJBMO-PYVMZELESA-N |
| Mol Weight | 861.05 g/mol |
| Molecular Formula | C46H64N6O10 |
| Exact Mass | 860.468392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14Vcj9TwGYb |
|---|---|
| Name | lsd Tartrate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 860.468392275 u |
| Formula | C46H64N6O10 |
| InChI | InChI=1S/2C20H25N3O.C4H6O6.2CH4O/c2*1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;5-1(3(7)8)2(6)4(9)10;2*1-2/h2*6-9,11,14,18,21H,4-5,10,12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);2*2H,1H3/t2*14-,18-;1-,2-;;/m110../s1 |
| InChIKey | GANNSFZIRKJBMO-PYVMZELESA-N |
| SMILES | OC.OC.OC([C@]([C@@](C(O)=O)(O)[H])(O)[H])=O.N1C=C2C=3C1=CC=CC3C1=C[C@](CN([C@@]1(C2)[H])C)(C(=O)N(CC)CC)[H].N1C=C2C=3C1=CC=CC3C1=C[C@](CN([C@@]1(C2)[H])C)(C(=O)N(CC)CC)[H] |