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3-[(5-bromo-2-thienyl)methyl]-6-(3H-imidazol-4-ylmethyl)piperazine-2,5-quinone

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3-[(5-bromo-2-thienyl)methyl]-6-(3H-imidazol-4-ylmethyl)piperazine-2,5-quinone
SpectraBase Compound ID KWyPBpS7swa
InChI InChI=1S/C13H13BrN4O2S/c14-11-2-1-8(21-11)4-10-13(20)17-9(12(19)18-10)3-7-5-15-6-16-7/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,20)(H,18,19)
InChIKey HQCDUSBBWXENTE-UHFFFAOYSA-N
Mol Weight 369.24 g/mol
Molecular Formula C13H13BrN4O2S
Exact Mass 367.99426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96zH03GiaV2
Name 3-[(5-bromo-2-thienyl)methyl]-6-(3H-imidazol-4-ylmethyl)piperazine-2,5-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13BrN4O2S
InChI InChI=1S/C13H13BrN4O2S/c14-11-2-1-8(21-11)4-10-13(20)17-9(12(19)18-10)3-7-5-15-6-16-7/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,20)(H,18,19)
InChIKey HQCDUSBBWXENTE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 369.236 g/mol
Source File Reference MHKO16660