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Quinidine TFA
SpectraBase Compound ID HwSdTwP0nfS
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-FQZPYLGXSA-N
Mol Weight 420.43 g/mol
Molecular Formula C22H23F3N2O3
Exact Mass 420.166077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kyEvPXZwSu
Name Quinidine 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-FQZPYLGXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 420.432 g/mol
Nominal Mass 420 u
Quality 961
Retention Index 3367
SMILES [C@]1([C@](C=2C=3C(=CC=C(C3)OC)N=CC2)(OC(C(F)(F)F)=O)[H])(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H]
SPLASH splash10-000i-3922200000-bbba3cae535b308ee86e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Chinidin TFA beta-Chinin TFA (S)-((2R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methyl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_015168