![6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl]acetoxymethyl]quinidine isomer](/api/spectrum/FJvVM0Difl6/structure.png?h=300&w=458 "6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl]acetoxymethyl]quinidine isomer")
| SpectraBase Compound ID | 4FxyewnJaX2 |
|---|---|
| InChI | InChI=1S/C22H26F2N2O3/c1-12(27)29-21(15-8-9-25-18-7-5-14(28-3)11-16(15)18)20-13-4-6-17(22(2,23)24)19(10-13)26-20/h5,7-9,11,13,17,19-21,26H,4,6,10H2,1-3H3/t13-,17?,19-,20?,21-/m0/s1 |
| InChIKey | BHBXGGAIUFYBRU-KSHNDTTESA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H26F2N2O3 |
| Exact Mass | 404.191149 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJvVM0Difl6 |
|---|---|
| Name | 6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl]acetoxymethyl]quinidine isomer |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26F2N2O3 |
| InChI | InChI=1S/C22H26F2N2O3/c1-12(27)29-21(15-8-9-25-18-7-5-14(28-3)11-16(15)18)20-13-4-6-17(22(2,23)24)19(10-13)26-20/h5,7-9,11,13,17,19-21,26H,4,6,10H2,1-3H3/t13-,17?,19-,20?,21-/m0/s1 |
| InChIKey | BHBXGGAIUFYBRU-KSHNDTTESA-N |
| Molecular Weight | 404.458 g/mol |
| SMILES | N1[C@@]2(C(CC[C@](C1[C@](c1c3c(ccc(c3)OC)ncc1)(OC(=O)C)[H])(C2)[H])C(F)(F)C)[H] |
| SPLASH | splash10-006t-3409400000-08d870be1008ae0abb92 |
| Source of Spectrum | F-20-668-7 |
| Wiley ID | 1631909 |