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2,6-DIMETHYL-N-(N-PARA-BROMOPHENYLSULFONYLBENZIMIDOYL)-1,4-BENZOQUINONIMINE
SpectraBase Compound ID Dv3r1MyUuKI
InChI InChI=1S/C21H17BrN2O3S/c1-14-12-18(13-15(2)20(14)25)23-21(16-6-4-3-5-7-16)24-28(26,27)19-10-8-17(22)9-11-19/h3-13H,1-2H3/b24-21+
InChIKey CPYZHQKIBZJSBN-DARPEHSRSA-N
Mol Weight 457.34 g/mol
Molecular Formula C21H17BrN2O3S
Exact Mass 456.014327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTaacDFcy6n
Name 2,6-DIMETHYL-N-(N-PARA-BROMOPHENYLSULFONYLBENZIMIDOYL)-1,4-BENZOQUINONIMINE
Compound Number IVH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrN2O3S
InChI InChI=1S/C21H17BrN2O3S/c1-14-12-18(13-15(2)20(14)25)23-21(16-6-4-3-5-7-16)24-28(26,27)19-10-8-17(22)9-11-19/h3-13H,1-2H3/b24-21+
InChIKey CPYZHQKIBZJSBN-DARPEHSRSA-N
Literature Reference Author A.P.AVDEENKO,V.V.PIROZHENKO,L.M.YAGUPOLSKII,I.L.MARCHENKO
Literature Reference Citation RUSS.J.ORG.CHEM.,37,991(2001)
Literature Reference DOI 10.1023/A:1012430601142
Molecular Weight 457.342 g/mol
Solvent CDCl3
Source File Reference UWVN5539