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1-METHYL-2-(4-CHLOROPHENYL)-3-[(2,3-DIHYDROXY)-1-PROPYL]-IMIDAZOLIUM_METHANESULFONATE
SpectraBase Compound ID 5wpwhteabSi
InChI InChI=1S/C15H18ClN2O3.CH4O3S/c1-17-6-7-18(9-13(20)10-19)15(17)8-14(21)11-2-4-12(16)5-3-11;1-5(2,3)4/h2-7,13,19-20H,8-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey SXRYGJMQSCZRKI-UHFFFAOYSA-M
Mol Weight 404.87 g/mol
Molecular Formula C16H21ClN2O6S
Exact Mass 404.080885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lZSKGpaorc
Name 1-METHYL-2-(4-CHLOROPHENYL)-3-[(2,3-DIHYDROXY)-1-PROPYL]-IMIDAZOLIUM_METHANESULFONATE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21ClN2O6S
InChI InChI=1S/C15H18ClN2O3.CH4O3S/c1-17-6-7-18(9-13(20)10-19)15(17)8-14(21)11-2-4-12(16)5-3-11;1-5(2,3)4/h2-7,13,19-20H,8-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey SXRYGJMQSCZRKI-UHFFFAOYSA-M
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 404.866 g/mol
Solvent D2O
Source File Reference UWSW540