![N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide](/api/spectrum/HTNLP5lO5Zx/structure.png?h=300&w=458 "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 |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HTNLP5lO5Zx |
|---|---|
| Name | N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 366161 |
| CAS Registry Number | 95088-20-3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H28BrF3N2O |
| 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 |
| Observed nucleus | 1H |
| Purity | 80% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | (9S)-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium-9-ol bromide (3a,9S)-9-Hydroxy-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium bromide |
| Wiley ID | SIAL_1HNMR_007666 |