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2,3-DIBROMO-5-(1-BUTYL-1H-IMIDAZOL-3-IUM-3-YL)-1,4-BENZOQUINONE-6-OLATE
SpectraBase Compound ID 5Mk8B7xL13K
InChI InChI=1S/C13H12Br2N2O3/c1-2-3-4-16-5-6-17(7-16)10-11(18)8(14)9(15)12(19)13(10)20/h5-7H,2-4H2,1H3
InChIKey QZFPCWWUGYBEHP-UHFFFAOYSA-N
Mol Weight 404.06 g/mol
Molecular Formula C13H12Br2N2O3
Exact Mass 401.921468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PERgxvWB3Q
Name 2,3-DIBROMO-5-(1-BUTYL-1H-IMIDAZOL-3-IUM-3-YL)-1,4-BENZOQUINONE-6-OLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12Br2N2O3
InChI InChI=1S/C13H12Br2N2O3/c1-2-3-4-16-5-6-17(7-16)10-11(18)8(14)9(15)12(19)13(10)20/h5-7H,2-4H2,1H3
InChIKey QZFPCWWUGYBEHP-UHFFFAOYSA-N
Literature Reference Author N.GONSIOR,F.MOHR,H.RITTER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,390(2012)
Literature Reference DOI 10.3762/bjoc.8.42
Molecular Weight 404.058 g/mol
Solvent DMSO-D6
Source File Reference UWIR10161