| SpectraBase Compound ID | 1ONPcg0vCJv |
|---|---|
| InChI | InChI=1S/C23H32N2O3Si/c1-6-23(26)15-25-12-10-16(23)13-21(25)22(28-29(3,4)5)18-9-11-24-20-8-7-17(27-2)14-19(18)20/h6-9,11,14,16,21-22,26H,1,10,12-13,15H2,2-5H3/t16-,21+,22+,23-/m1/s1 |
| InChIKey | KOBALVUEVQUZQL-FBAPQVDSSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C23H32N2O3Si |
| Exact Mass | 412.218219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Cnw3aL1VSs |
|---|---|
| Name | (3S)-3-Hydroxyquinidine, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.218219430 u |
| Formula | C23H32N2O3Si |
| InChI | InChI=1S/C23H32N2O3Si/c1-6-23(26)15-25-12-10-16(23)13-21(25)22(28-29(3,4)5)18-9-11-24-20-8-7-17(27-2)14-19(18)20/h6-9,11,14,16,21-22,26H,1,10,12-13,15H2,2-5H3/t16-,21+,22+,23-/m1/s1 |
| InChIKey | KOBALVUEVQUZQL-FBAPQVDSSA-N |
| Molecular Weight | 412.605 g/mol |
| SMILES | C1(=CC=C2C(=C1)C([C@@]([C@@]1(N3CC[C@](C1)([C@@](C3)(O)C=C)[H])[H])(O[Si](C)(C)C)[H])=CC=N2)OC |