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CIS-2-(4-CHLOROPHENYL)-2-[2-(2-IMIDAZOLYL)-ETHYL]-4-(BENZOYLOXYMETHYL)-1,3-DIOXOLANE
SpectraBase Compound ID HB3SbWZxgD2
InChI InChI=1S/C22H21ClN2O4/c23-18-8-6-17(7-9-18)22(11-10-20-24-12-13-25-20)28-15-19(29-22)14-27-21(26)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11,14-15H2,(H,24,25)/t19-,22-/m0/s1
InChIKey XSXIQYBWKRUHPQ-UGKGYDQZSA-N
Mol Weight 412.87 g/mol
Molecular Formula C22H21ClN2O4
Exact Mass 412.118985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hajGElFVpA
Name CIS-2-(4-CHLOROPHENYL)-2-[2-(2-IMIDAZOLYL)-ETHYL]-4-(BENZOYLOXYMETHYL)-1,3-DIOXOLANE
Compound Number 32A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClN2O4
InChI InChI=1S/C22H21ClN2O4/c23-18-8-6-17(7-9-18)22(11-10-20-24-12-13-25-20)28-15-19(29-22)14-27-21(26)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11,14-15H2,(H,24,25)/t19-,22-/m0/s1
InChIKey XSXIQYBWKRUHPQ-UGKGYDQZSA-N
Literature Reference Author J.W.KIM,F.S.DAVIS,L.F.HUANG,S.M.ABDELAAL,S.P.UPADHYAYA,J.J.L EE,L.BAUER
Literature Reference Citation J.HETCYCL.CHEM.,33,65(1996)
Literature Reference DOI 10.1002/jhet.5570330112
Molecular Weight 412.873 g/mol
Solvent CDCl3
Source File Reference UWCS20799