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TRANS-2-(4-CHLOROPHENYL)-2-[2-(2-IMIDAZOLYL)-ETHYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
SpectraBase Compound ID 4jQIYdVJjky
InChI InChI=1S/C15H17ClN2O2S/c16-12-3-1-11(2-4-12)15(20-13(9-19)10-21-15)6-5-14-17-7-8-18-14/h1-4,7-8,13,19H,5-6,9-10H2,(H,17,18)/t13-,15-/m1/s1
InChIKey PQUITIUKXFBFEH-UKRRQHHQSA-N
Mol Weight 324.83 g/mol
Molecular Formula C15H17ClN2O2S
Exact Mass 324.069927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGJcFmRoDbX
Name TRANS-2-(4-CHLOROPHENYL)-2-[2-(2-IMIDAZOLYL)-ETHYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17ClN2O2S
InChI InChI=1S/C15H17ClN2O2S/c16-12-3-1-11(2-4-12)15(20-13(9-19)10-21-15)6-5-14-17-7-8-18-14/h1-4,7-8,13,19H,5-6,9-10H2,(H,17,18)/t13-,15-/m1/s1
InChIKey PQUITIUKXFBFEH-UKRRQHHQSA-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 324.825 g/mol
Solvent CDCl3
Source File Reference UWCS20786