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PWXSVFBECRGKDB-UHFFFAOYSA-N
SpectraBase Compound ID E6LyMNtnGxt
InChI InChI=1S/C6H5BrN6O2S/c1-12-3(4-10-11-6(8)16-4)9-2(7)5(12)13(14)15/h1H3,(H2,8,11)
InChIKey PWXSVFBECRGKDB-UHFFFAOYSA-N
Mol Weight 305.11 g/mol
Molecular Formula C6H5BrN6O2S
Exact Mass 303.937808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkzKHB48XiV
Name 2-AMINO-5-(1-METHYL-4-BROMO-5-NITRO-2-IMIDAZOLYL)-1,3,4-THIADIAZOL
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5BrN6O2S
InChI InChI=1S/C6H5BrN6O2S/c1-12-3(4-10-11-6(8)16-4)9-2(7)5(12)13(14)15/h1H3,(H2,8,11)
InChIKey PWXSVFBECRGKDB-UHFFFAOYSA-N
Literature Reference Author G.CHAUVIERE,C.VIODE,J.PERIE
Literature Reference Citation J.HETCYCL.CHEM.,37,119(2000)
Literature Reference DOI 10.1002/jhet.5570370120
Molecular Weight 305.109 g/mol
Solvent DMSO-D6
Source File Reference UWSI24553