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CIS-2-(4-CHLOROPHENYL)-2-[3-(1-METHYL-2-IMIDAZOLYL)-PROPYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
SpectraBase Compound ID 9gMvofjfkeV
InChI InChI=1S/C17H21ClN2O2S/c1-20-10-9-19-16(20)3-2-8-17(22-15(11-21)12-23-17)13-4-6-14(18)7-5-13/h4-7,9-10,15,21H,2-3,8,11-12H2,1H3/t15-,17+/m0/s1
InChIKey KSOAQYIQVKZSSX-DOTOQJQBSA-N
Mol Weight 352.88 g/mol
Molecular Formula C17H21ClN2O2S
Exact Mass 352.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GaceWtCRvq
Name CIS-2-(4-CHLOROPHENYL)-2-[3-(1-METHYL-2-IMIDAZOLYL)-PROPYL]-5-(HYDROXYMETHYL)-1,3-OXATHIOLANE
Compound Number 25 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN2O2S
InChI InChI=1S/C17H21ClN2O2S/c1-20-10-9-19-16(20)3-2-8-17(22-15(11-21)12-23-17)13-4-6-14(18)7-5-13/h4-7,9-10,15,21H,2-3,8,11-12H2,1H3/t15-,17+/m0/s1
InChIKey KSOAQYIQVKZSSX-DOTOQJQBSA-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 352.879 g/mol
Solvent CDCl3
Source File Reference UWCS20790