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N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide

Compound with spectra: 2 NMR, and 1 FTIR

N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide
SpectraBase Compound ID ErccCmE0PGz
InChI InChI=1S/C27H28F3N2O.BrH/c1-2-19-17-32(16-18-7-9-21(10-8-18)27(28,29)30)14-12-20(19)15-25(32)26(33)23-11-13-31-24-6-4-3-5-22(23)24;/h2-11,13,19-20,25-26,33H,1,12,14-17H2;1H/q+1;/p-1/t19-,20+,25+,26-,32-;/m0./s1
InChIKey LOCWWLLFHKDFLF-YADSZPGASA-M
Mol Weight 533.43 g/mol
Molecular Formula C27H28BrF3N2O
Exact Mass 532.133711 g/mol
Parent InChIKey SITSZSBBGPBOAT-HZKUFKHBSA-M
Enantiomer InChIKey LOCWWLLFHKDFLF-GOSXVYLTSA-M

View Spectrum of N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 366161

View Spectrum of N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 366161
Solvent DMSO-d6

View Spectrum of N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 366161
Solvent DMSO-d6
  • (3a,9S)-9-Hydroxy-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium bromide
  • (9S)-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium-9-ol bromide
N-Benzylcinchoninium chloride
(8S,9R)-(-)-N-Benzylcinchonidinium chloride
N-Benzylcinchonidinium bromide
N-FLUOROQUINININE-TETRAFLUOROBORATE
Quinidine-M (N-oxide)
(3R,8R,9S)-3-Formylmethylene-6'-methoxyruban-9-ol
2-[(Pyridin-2'-yloxy)-quinolin-4"-yl)methyl]-8-vinylquinuclidine
QUININE-1-N-OXIDE
endo-(3S,8R,9S)-9-tert-Butyldimethylsilyloxy-3-hydroxy-6'-methoxyrubane
(3S/R,8R,9S)-3-Hydroxy-3-(3"-hydroxy-1"-propynyl)-6'-methoxyruban-9-ol
Other Resources
Unknown Identification

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