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CIS-2-(4-CHLOROPHENYL)-2-[3-(2-IMIDAZOLYL)-PROPYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
SpectraBase Compound ID EuUVkjxE7Bq
InChI InChI=1S/C16H19ClN2O2S/c17-13-5-3-12(4-6-13)16(21-14(10-20)11-22-16)7-1-2-15-18-8-9-19-15/h3-6,8-9,14,20H,1-2,7,10-11H2,(H,18,19)/t14-,16+/m0/s1
InChIKey IMXJWNFBAQQDHU-GOEBONIOSA-N
Mol Weight 338.85 g/mol
Molecular Formula C16H19ClN2O2S
Exact Mass 338.085577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvODcByvtXF
Name CIS-2-(4-CHLOROPHENYL)-2-[3-(2-IMIDAZOLYL)-PROPYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
Compound Number 23A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19ClN2O2S
InChI InChI=1S/C16H19ClN2O2S/c17-13-5-3-12(4-6-13)16(21-14(10-20)11-22-16)7-1-2-15-18-8-9-19-15/h3-6,8-9,14,20H,1-2,7,10-11H2,(H,18,19)/t14-,16+/m0/s1
InChIKey IMXJWNFBAQQDHU-GOEBONIOSA-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 338.852 g/mol
Solvent CDCl3
Source File Reference UWCS20787