| SpectraBase Compound ID | DGfT9HMCjYh |
|---|---|
| InChI | InChI=1S/2C13H18FNO.2C10H9F3O3/c2*1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;2*1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2*2-5,11,13,16H,6-9H2,1H3;2*2-6H,1H3,(H,14,15)/t2*11-,13-;2*9-/m1000/s1 |
| InChIKey | MOQDHXKYKGETSA-RWDGQJQTSA-N |
| Mol Weight | 914.93 g/mol |
| Molecular Formula | C46H54F8N2O8 |
| Exact Mass | 914.375242 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnEDaGT5JGB |
|---|---|
| Name | (3S,4R)/(3R,4S)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE-SALT-OF-S-MOSHER-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54F8N2O8 |
| InChI | InChI=1S/2C13H18FNO.2C10H9F3O3/c2*1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;2*1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2*2-5,11,13,16H,6-9H2,1H3;2*2-6H,1H3,(H,14,15)/t2*11-,13-;2*9-/m1000/s1 |
| InChIKey | MOQDHXKYKGETSA-RWDGQJQTSA-N |
| Literature Reference Author | H.NAVRATILOVA |
| Literature Reference Citation | MAGN.RES.CHEM.,39,727(2001) |
| Literature Reference DOI | 10.1002/mrc.940 |
| Solvent | C6D6 |
| Source File Reference | UWSI24972 |