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CIS-2-(4-CHLOROPHENYL)-2-[2-(1-METHYL-2-IMIDAZOLYL)-ETHYL]-5-(BENZOYLOXYMETHYL)-1,3-OXOTHIOLANE
SpectraBase Compound ID B2wKy8DxEET
InChI InChI=1S/C23H23ClN2O3S/c1-26-14-13-25-21(26)11-12-23(18-7-9-19(24)10-8-18)29-20(16-30-23)15-28-22(27)17-5-3-2-4-6-17/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-,23+/m0/s1
InChIKey QZJOYDQZWFGYDY-NZQKXSOJSA-N
Mol Weight 442.96 g/mol
Molecular Formula C23H23ClN2O3S
Exact Mass 442.111791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1M5O1jhrgWz
Name CIS-2-(4-CHLOROPHENYL)-2-[2-(1-METHYL-2-IMIDAZOLYL)-ETHYL]-5-(BENZOYLOXYMETHYL)-1,3-OXOTHIOLANE
Compound Number 28A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23ClN2O3S
InChI InChI=1S/C23H23ClN2O3S/c1-26-14-13-25-21(26)11-12-23(18-7-9-19(24)10-8-18)29-20(16-30-23)15-28-22(27)17-5-3-2-4-6-17/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-,23+/m0/s1
InChIKey QZJOYDQZWFGYDY-NZQKXSOJSA-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 442.960 g/mol
Solvent CDCl3
Source File Reference UWCS20796