| SpectraBase Compound ID | GGEHm8o3vv7 |
|---|---|
| InChI | InChI=1S/C22H23F3N2O3/c1-3-13-12-27-9-7-14(13)10-19(27)20(30-21(28)22(23,24)25)16-6-8-26-18-5-4-15(29-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m1/s1 |
| InChIKey | JYTNTROXTMZRPG-UYVJDWJCSA-N |
| Mol Weight | 420.43 g/mol |
| Molecular Formula | C22H23F3N2O3 |
| Exact Mass | 420.166077 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8GnLgpMG0Z6 |
|---|---|
| Name | Quinine TFA |
| Classification | Pharmaceutical drug derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 420.166077095 u |
| Formula | C22H23F3N2O3 |
| InChI | InChI=1S/C22H23F3N2O3/c1-3-13-12-27-9-7-14(13)10-19(27)20(30-21(28)22(23,24)25)16-6-8-26-18-5-4-15(29-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m1/s1 |
| InChIKey | JYTNTROXTMZRPG-UYVJDWJCSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 420.432 g/mol |
| Nominal Mass | 420 u |
| Quality | 935 |
| Retention Index | 3367 |
| SMILES | [C@@]([C@@]1(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H])(C=1C=2C(=CC=C(C2)OC)N=CC1)(OC(C(F)(F)F)=O)[H] |
| SPLASH | splash10-000i-1900000000-ea288bf72589f6adbef2 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Chinin TFA (5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methyl trifluoroacetate |
| Technique | GC/MS |
| Wiley ID | DD2024_015167 |