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CIS-(2-(2,4-DICHLOROPHENYL)-2-[2-(1-METHYL-5-IMIDAZOLYL)-ETHYL]-4-BENZOYLOXYMETHYL)-1,3-DIOXOLANE
SpectraBase Compound ID A0rzLTua4UC
InChI InChI=1S/C23H22Cl2N2O4/c1-27-15-26-12-18(27)9-10-23(20-8-7-17(24)11-21(20)25)30-14-19(31-23)13-29-22(28)16-5-3-2-4-6-16/h2-8,11-12,15,19H,9-10,13-14H2,1H3/t19-,23-/m1/s1
InChIKey MIGQCXKWELYQGR-AUSIDOKSSA-N
Mol Weight 461.35 g/mol
Molecular Formula C23H22Cl2N2O4
Exact Mass 460.095663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NtlQvcqYjA
Name CIS-(2-(2,4-DICHLOROPHENYL)-2-[2-(1-METHYL-5-IMIDAZOLYL)-ETHYL]-4-BENZOYLOXYMETHYL)-1,3-DIOXOLANE
Compound Number 27-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22Cl2N2O4
InChI InChI=1S/C23H22Cl2N2O4/c1-27-15-26-12-18(27)9-10-23(20-8-7-17(24)11-21(20)25)30-14-19(31-23)13-29-22(28)16-5-3-2-4-6-16/h2-8,11-12,15,19H,9-10,13-14H2,1H3/t19-,23-/m1/s1
InChIKey MIGQCXKWELYQGR-AUSIDOKSSA-N
Literature Reference Author J.J.LEE,L.F.HUANG,K.ZAW,L.BAUER
Literature Reference Citation J.HETCYCL.CHEM.,35,81(1998)
Literature Reference DOI 10.1002/jhet.5570350116
Molecular Weight 461.345 g/mol
Solvent CDCl3
Source File Reference UWCS25560