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Cinchonine-p-bromobenzenesulfonate

View entire compound with spectra: 1 NMR

Cinchonine-p-bromobenzenesulfonate
SpectraBase Compound ID 4IAmDchDsGP
InChI InChI=1S/C25H25BrN2O3S/c1-2-17-16-28-14-12-18(17)15-24(28)25(22-11-13-27-23-6-4-3-5-21(22)23)31-32(29,30)20-9-7-19(26)8-10-20/h2-11,13,17-18,24-25H,1,12,14-16H2
InChIKey DKEURLDIQRYWAU-UHFFFAOYSA-N
Mol Weight 513.45 g/mol
Molecular Formula C25H25BrN2O3S
Exact Mass 512.076927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jWYjelZ12x
Name Cinchonine-p-bromobenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.076926844 u
Formula C25H25BrN2O3S
InChI InChI=1S/C25H25BrN2O3S/c1-2-17-16-28-14-12-18(17)15-24(28)25(22-11-13-27-23-6-4-3-5-21(22)23)31-32(29,30)20-9-7-19(26)8-10-20/h2-11,13,17-18,24-25H,1,12,14-16H2
InChIKey DKEURLDIQRYWAU-UHFFFAOYSA-N
Molecular Weight 513.450 g/mol
SMILES C1N2CC(C=C)C(C1)CC2C(C1=CC=NC=2C1=CC=CC2)OS(C1=CC=C(Br)C=C1)(=O)=O