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CIS-{2-(4-BrOMOPHENYL)-2-[1H-IMIDAZOL-1-YL]-METHYL-(1,3-DIOXOLAN-4-YL)}-METHYL-BENZOATE
SpectraBase Compound ID 3pwkbpOIqHc
InChI InChI=1S/C21H19BrN2O4/c22-18-8-6-17(7-9-18)21(14-24-11-10-23-15-24)27-13-19(28-21)12-26-20(25)16-4-2-1-3-5-16/h1-11,15,19H,12-14H2/t19-,21-/m0/s1
InChIKey DEWFIFJHHAZNSP-FPOVZHCZSA-N
Mol Weight 443.3 g/mol
Molecular Formula C21H19BrN2O4
Exact Mass 442.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUiljnI4ZcU
Name CIS-{2-(4-BrOMOPHENYL)-2-[1H-IMIDAZOL-1-YL]-METHYL-(1,3-DIOXOLAN-4-YL)}-METHYL-BENZOATE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrN2O4
InChI InChI=1S/C21H19BrN2O4/c22-18-8-6-17(7-9-18)21(14-24-11-10-23-15-24)27-13-19(28-21)12-26-20(25)16-4-2-1-3-5-16/h1-11,15,19H,12-14H2/t19-,21-/m0/s1
InChIKey DEWFIFJHHAZNSP-FPOVZHCZSA-N
Literature Reference Author D.R.CHAPMAN,L.BAUER
Literature Reference Citation J.HETCYCL.CHEM.,27,2053(1990)
Literature Reference DOI 10.1002/jhet.5570270738
Molecular Weight 443.297 g/mol
Solvent CDCl3
Source File Reference UWCP3344