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AFJGIQYRDMGWOK-KXFIGUGUSA-N
SpectraBase Compound ID 5OrOxreHlAd
InChI InChI=1S/C8H6BrN3OS/c9-4-1-5(14-3-4)2-6-7(13)12-8(10)11-6/h1-3H,(H3,10,11,12,13)/b6-2-
InChIKey AFJGIQYRDMGWOK-KXFIGUGUSA-N
Mol Weight 272.12 g/mol
Molecular Formula C8H6BrN3OS
Exact Mass 270.941496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98kRJP8AXxl
Name AFJGIQYRDMGWOK-KXFIGUGUSA-N
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6BrN3OS
InChI InChI=1S/C8H6BrN3OS/c9-4-1-5(14-3-4)2-6-7(13)12-8(10)11-6/h1-3H,(H3,10,11,12,13)/b6-2-
InChIKey AFJGIQYRDMGWOK-KXFIGUGUSA-N
Literature Reference Author P.S.BARON,J.E.NEVE,D.CAMP,L.SURAWEERA,A.LAM,J.LAI,L.JOVANOVI C,C.NELSON,R.A.DAVIS
Literature Reference Citation MAGN.RES.CHEM.,51,358(2013)
Literature Reference DOI 10.1002/mrc.3958
Molecular Weight 272.119 g/mol
Solvent CD3OD
Source File Reference UWIR12998