![6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl)hydroxymethyl]quinidine isomer](/api/spectrum/1TzuVfdq9A/structure.png?h=300&w=458 "6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl)hydroxymethyl]quinidine isomer")
| SpectraBase Compound ID | GQeZpa0bHHU |
|---|---|
| InChI | InChI=1S/C20H24F2N2O2/c1-20(21,22)16-11-24-8-6-12(16)9-18(24)19(25)14-5-7-23-17-4-3-13(26-2)10-15(14)17/h3-5,7,10,12,16,18-19,25H,6,8-9,11H2,1-2H3/t12-,16+,18-,19-/m1/s1 |
| InChIKey | CHTKVWAASFZDTJ-YDISMWLMSA-N |
| Mol Weight | 362.42 g/mol |
| Molecular Formula | C20H24F2N2O2 |
| Exact Mass | 362.180584 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1TzuVfdq9A |
|---|---|
| Name | 6-Methoxy-4-[[7-(1,1-difluoroethyl)-1-azabicyclo[2.2.2]octan-2-yl)hydroxymethyl]quinidine isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24F2N2O2 |
| InChI | InChI=1S/C20H24F2N2O2/c1-20(21,22)16-11-24-8-6-12(16)9-18(24)19(25)14-5-7-23-17-4-3-13(26-2)10-15(14)17/h3-5,7,10,12,16,18-19,25H,6,8-9,11H2,1-2H3/t12-,16+,18-,19-/m1/s1 |
| InChIKey | CHTKVWAASFZDTJ-YDISMWLMSA-N |
| Molecular Weight | 362.421 g/mol |
| SMILES | O[C@](c1c2c(ccc(c2)OC)ncc1)([C@@]1(N2C[C@@](C(F)(F)C)([H])[C@](CC2)(C1)[H])[H])[H] |
| SPLASH | splash10-01za-4902000000-a7d2857ee06dc7a1698c |
| Source of Spectrum | F-20-669-10 |
| Wiley ID | 1631905 |