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1-METHYL-6,9-EPOXY-9-(2,4-DICHLOROPHENYL)-5,6,9,10-TETRAHYDRO-(1H)-IMIDAZO-[3,2-E]-[(2H)-1,5]-OXAZOCINIUM_METHANESULFONATE

View entire compound with spectra: 3 NMR

1-METHYL-6,9-EPOXY-9-(2,4-DICHLOROPHENYL)-5,6,9,10-TETRAHYDRO-(1H)-IMIDAZO-[3,2-E]-[(2H)-1,5]-OXAZOCINIUM_METHANESULFONATE
SpectraBase Compound ID 7Bf5IgQVLE4
InChI InChI=1S/C15H15Cl2N2O2.CH4O3S/c1-18-4-5-19-8-11-9-20-15(21-11,7-14(18)19)12-3-2-10(16)6-13(12)17;1-5(2,3)4/h2-6,11H,7-9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t11-,15+;/m0./s1
InChIKey MGJMMRYWIJKLFU-OTKFKWBMSA-M
Mol Weight 421.3 g/mol
Molecular Formula C16H18Cl2N2O5S
Exact Mass 420.031348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg2Dye5fODA
Name 1-METHYL-6,9-EPOXY-9-(2,4-DICHLOROPHENYL)-5,6,9,10-TETRAHYDRO-(1H)-IMIDAZO-[3,2-E]-[(2H)-1,5]-OXAZOCINIUM_METHANESULFONATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18Cl2N2O5S
InChI InChI=1S/C15H15Cl2N2O2.CH4O3S/c1-18-4-5-19-8-11-9-20-15(21-11,7-14(18)19)12-3-2-10(16)6-13(12)17;1-5(2,3)4/h2-6,11H,7-9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t11-,15+;/m0./s1
InChIKey MGJMMRYWIJKLFU-OTKFKWBMSA-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 421.295 g/mol
Solvent DMSO-D6
Source File Reference UWSW535