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(8S,9S)-9-[2-(N-METHYL)-PYRIDINIUM]-(9-DESOXY)-(EPI)-CINCHONIDINE-TETRAFLUOROBORATE

View entire compound with spectra: 2 NMR

(8S,9S)-9-[2-(N-METHYL)-PYRIDINIUM]-(9-DESOXY)-(EPI)-CINCHONIDINE-TETRAFLUOROBORATE
SpectraBase Compound ID GjoDScy9D0I
InChI InChI=1S/C26H28N4O.BF4/c1-3-18-17-30-15-12-19(18)16-24(30)25(28-26(31)23-10-6-7-14-29(23)2)21-11-13-27-22-9-5-4-8-20(21)22;2-1(3,4)5/h3-11,13-14,18-19,24-25H,1,12,15-17H2,2H3;/q;-1/p+1/t18-,19-,24-,25-;/m0./s1
InChIKey TZCCJKOUQFTORZ-HZAADMTHSA-O
Mol Weight 500.35 g/mol
Molecular Formula C26H29BF4N4O
Exact Mass 500.237054 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBARTXad2tM
Name (8S,9S)-9-[2-(N-METHYL)-PYRIDINIUM]-(9-DESOXY)-(EPI)-CINCHONIDINE-TETRAFLUOROBORATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29BF4N4O
InChI InChI=1S/C26H28N4O.BF4/c1-3-18-17-30-15-12-19(18)16-24(30)25(28-26(31)23-10-6-7-14-29(23)2)21-11-13-27-22-9-5-4-8-20(21)22;2-1(3,4)5/h3-11,13-14,18-19,24-25H,1,12,15-17H2,2H3;/q;-1/p+1/t18-,19-,24-,25-;/m0./s1
InChIKey TZCCJKOUQFTORZ-HZAADMTHSA-O
Literature Reference Author P.C.BARRULAS,A.GENONI,M.BENAGLIA,A.J.BURKE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7339(2014)
Literature Reference DOI 10.1002/ejoc.201403180
Solvent CDCl3
Source File Reference UWIR20092