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TRANS-{2-(4-CHLOROPHENYL)-2[(1-METHYL-2-IMIDAZOLYL)-METHYL]-4-METHANE-SULFONXLYOXY}-1,3-DIOXOLANE
SpectraBase Compound ID 7Fxr4ZarHU2
InChI InChI=1S/C16H19ClN2O5S/c1-19-8-7-18-15(19)9-16(12-3-5-13(17)6-4-12)22-10-14(24-16)11-23-25(2,20)21/h3-8,14H,9-11H2,1-2H3/t14-,16-/m0/s1
InChIKey LDWDGVBILLPTMP-HOCLYGCPSA-N
Mol Weight 386.85 g/mol
Molecular Formula C16H19ClN2O5S
Exact Mass 386.070321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FdSYt0coEu
Name TRANS-{2-(4-CHLOROPHENYL)-2[(1-METHYL-2-IMIDAZOLYL)-METHYL]-4-METHANE-SULFONXLYOXY}-1,3-DIOXOLANE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19ClN2O5S
InChI InChI=1S/C16H19ClN2O5S/c1-19-8-7-18-15(19)9-16(12-3-5-13(17)6-4-12)22-10-14(24-16)11-23-25(2,20)21/h3-8,14H,9-11H2,1-2H3/t14-,16-/m0/s1
InChIKey LDWDGVBILLPTMP-HOCLYGCPSA-N
Literature Reference Author S.P.UPADHYAYA,F.S.DAVIS,J.J.LEE,K.ZAW,L.BAUER,N.E.HEIMER
Literature Reference Citation J.HETCYCL.CHEM.,34,1607(1997)
Literature Reference DOI 10.1002/jhet.5570340537
Molecular Weight 386.850 g/mol
Solvent CDCl3
Source File Reference UWSW529