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ETHYL-[[(5Z)-5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-1-METHYL-4-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-THIO]-ACETATE
SpectraBase Compound ID CoRWrBsbu6m
InChI InChI=1S/C16H16N2O4S/c1-3-11(19)8-23-16-17-15(20)12(18(16)2)6-10-4-5-13-14(7-10)22-9-21-13/h4-7H,3,8-9H2,1-2H3/b12-6-
InChIKey AFWDESZNJNCFQH-SDQBBNPISA-N
Mol Weight 332.37 g/mol
Molecular Formula C16H16N2O4S
Exact Mass 332.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qHyRo55iWZ
Name ETHYL-[[(5Z)-5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-1-METHYL-4-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-THIO]-ACETATE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2O4S
InChI InChI=1S/C16H16N2O4S/c1-3-11(19)8-23-16-17-15(20)12(18(16)2)6-10-4-5-13-14(7-10)22-9-21-13/h4-7H,3,8-9H2,1-2H3/b12-6-
InChIKey AFWDESZNJNCFQH-SDQBBNPISA-N
Literature Reference Author K.BOURAHLA,L.PAQUIN,O.LOZACH,L.MEIJER,F.CARREAUX,J.P.BAZUREA U
Literature Reference Citation MOLECULES,16,7377(2011)
Literature Reference DOI 10.3390/molecules16097377
Molecular Weight 332.374 g/mol
Sample ID 157
Solvent DMSO-D6