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Quinidine TMS
SpectraBase Compound ID 97Zs3P312Js
InChI InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17-,22-,23+/m1/s1
InChIKey UKECXMWGKYEZPW-UOGRCSNTSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H32N2O2Si
Exact Mass 396.223305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n31txDOXMu
Name Quinidine TMS
CAS Registry Number 77981-91-0
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 396.223304811 u
Formula C23H32N2O2Si
InChI InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17-,22-,23+/m1/s1
InChIKey UKECXMWGKYEZPW-UOGRCSNTSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.606 g/mol
Nominal Mass 396 u
Quality 821
Retention Index 3189
SMILES [C@]1([C@](C=2C=3C(=CC=C(C3)OC)N=CC2)(O[Si](C)(C)C)[H])(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H]
SPLASH splash10-000i-4943000000-983a87946e7512780ef8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Chinidin TMS Chinin TMS Quinine,trimethylsilyl ether beta-Chinin TMS 4-((S)-((2R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)((trimethylsilyl)oxy)methyl)-6-methoxyquinoline
Technique GC/MS
Wiley ID DD2024_015164