| SpectraBase Compound ID | 6gMQdhVTfUo |
|---|---|
| InChI | InChI=1S/C23H31F3N2OSi/c1-5-15-14-28-11-9-16(15)12-21(28)22(29-30(2,3)4)19-8-10-27-20-13-17(23(24,25)26)6-7-18(19)20/h6-8,10,13,15-16,21-22H,5,9,11-12,14H2,1-4H3 |
| InChIKey | XGWYDPFEFHSVDQ-UHFFFAOYSA-N |
| Mol Weight | 436.59 g/mol |
| Molecular Formula | C23H31F3N2OSi |
| Exact Mass | 436.215775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1oRIR9noV7 |
|---|---|
| Name | 7'-Trifluoromethyl-dihydrocinchonidine, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.215774649 u |
| Formula | C23H31F3N2OSi |
| InChI | InChI=1S/C23H31F3N2OSi/c1-5-15-14-28-11-9-16(15)12-21(28)22(29-30(2,3)4)19-8-10-27-20-13-17(23(24,25)26)6-7-18(19)20/h6-8,10,13,15-16,21-22H,5,9,11-12,14H2,1-4H3 |
| InChIKey | XGWYDPFEFHSVDQ-UHFFFAOYSA-N |
| Molecular Weight | 436.594 g/mol |
| SMILES | C1=2C(=CC=C(C2)C(F)(F)F)C(=CC=N1)C(C1CC2C(CN1CC2)CC)O[Si](C)(C)C |