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1-[1-METHYL-4-BROMO-2-(METHYLTHIO)-5-IMIDAZOLYL]-ETHANONE
SpectraBase Compound ID s99LHm5QOz
InChI InChI=1S/C7H9BrN2OS/c1-4(11)5-6(8)9-7(12-3)10(5)2/h1-3H3
InChIKey BJOPKSBBPUHLLW-UHFFFAOYSA-N
Mol Weight 249.13 g/mol
Molecular Formula C7H9BrN2OS
Exact Mass 247.961897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fvqy3pl4ezZ
Name 1-[1-METHYL-4-BROMO-2-(METHYLTHIO)-5-IMIDAZOLYL]-ETHANONE
CAS Registry Number 138335-97-4
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9BrN2OS
InChI InChI=1S/C7H9BrN2OS/c1-4(11)5-6(8)9-7(12-3)10(5)2/h1-3H3
InChIKey BJOPKSBBPUHLLW-UHFFFAOYSA-N
Literature Reference Author D.E.BIERER,J.F.O'CONNELL,J.R.PARQUETTE,C.M.THOMPSON,H.RAPOPO RT
Literature Reference Citation J.ORG.CHEM.,57,1390(1992)
Literature Reference DOI 10.1021/jo00031a017
Molecular Weight 249.125 g/mol
Solvent CDCl3
Source File Reference UWCS12622