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IOXWETCMCWBCIY-ZUQRMPMESA-N
SpectraBase Compound ID JIgCt2Zz89O
InChI InChI=1S/C13H16N4O2S2.BrH/c1-20-13(16-15-12-3-2-8-14-12)21-9-10-4-6-11(7-5-10)17(18)19;/h4-7H,2-3,8-9H2,1H3,(H,14,15);1H/b16-13+;
InChIKey IOXWETCMCWBCIY-ZUQRMPMESA-N
Mol Weight 405.33 g/mol
Molecular Formula C13H17BrN4O2S2
Exact Mass 403.997631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5e4X3ZxYqXm
Name IOXWETCMCWBCIY-ZUQRMPMESA-N
CAS Registry Number 140440-03-5
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17BrN4O2S2
InChI InChI=1S/C13H16N4O2S2.BrH/c1-20-13(16-15-12-3-2-8-14-12)21-9-10-4-6-11(7-5-10)17(18)19;/h4-7H,2-3,8-9H2,1H3,(H,14,15);1H/b16-13+;
InChIKey IOXWETCMCWBCIY-ZUQRMPMESA-N
Literature Reference Author U.RADICS,J.LIEBSCHER,B.ZIEMER,V.RYBAKOV
Literature Reference Citation CHEM.BER.,125,1389(1992)
Literature Reference DOI 10.1002/cber.19921250614
Molecular Weight 405.328 g/mol
Solvent DMSO-D6
Source File Reference UWCS8712