| SpectraBase Compound ID | 53LaO1kPYA6 |
|---|---|
| InChI | InChI=1S/C13H18FNO.C10H9F3O3/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,11,13,16H,6-9H2,1H3;2-6H,1H3,(H,14,15)/t11-,13-;9-/m10/s1 |
| InChIKey | XJFOGDYBGPNUIL-KCYVONTKSA-N |
| Mol Weight | 457.47 g/mol |
| Molecular Formula | C23H27F4NO4 |
| Exact Mass | 457.187621 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fKYBjFbgeY |
|---|---|
| Name | (3S,4R)-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 | C23H27F4NO4 |
| InChI | InChI=1S/C13H18FNO.C10H9F3O3/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,11,13,16H,6-9H2,1H3;2-6H,1H3,(H,14,15)/t11-,13-;9-/m10/s1 |
| InChIKey | XJFOGDYBGPNUIL-KCYVONTKSA-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 | UWSI24973 |