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CIS-2-(4-CHLOROPHENYL)-2-[3-(1-METHYL-2-IMIDAZOLYL)-PROPYL]-5-(BENZOYLOXYMETHYL)-1,3-OXOTHIOLANE
SpectraBase Compound ID 3QZ00M3bPpn
InChI InChI=1S/C24H25ClN2O3S/c1-27-15-14-26-22(27)8-5-13-24(19-9-11-20(25)12-10-19)30-21(17-31-24)16-29-23(28)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,21H,5,8,13,16-17H2,1H3/t21-,24+/m0/s1
InChIKey YSILQZQSXYJOPO-XUZZJYLKSA-N
Mol Weight 456.99 g/mol
Molecular Formula C24H25ClN2O3S
Exact Mass 456.127442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ovUA4WPGAq
Name CIS-2-(4-CHLOROPHENYL)-2-[3-(1-METHYL-2-IMIDAZOLYL)-PROPYL]-5-(BENZOYLOXYMETHYL)-1,3-OXOTHIOLANE
Compound Number 29A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25ClN2O3S
InChI InChI=1S/C24H25ClN2O3S/c1-27-15-14-26-22(27)8-5-13-24(19-9-11-20(25)12-10-19)30-21(17-31-24)16-29-23(28)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,21H,5,8,13,16-17H2,1H3/t21-,24+/m0/s1
InChIKey YSILQZQSXYJOPO-XUZZJYLKSA-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 456.987 g/mol
Solvent CDCl3
Source File Reference UWCS20797