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MQCZRKAORUIQDB-UHFFFAOYSA-N
SpectraBase Compound ID DMX77qDfxN4
InChI InChI=1S/C11H10N4OS.ClH/c1-6-2-3-8-9-14(11(13)17-8)5-7(4-12)10(16)15(6)9;/h5-6,13H,2-3H2,1H3;1H
InChIKey MQCZRKAORUIQDB-UHFFFAOYSA-N
Mol Weight 282.75 g/mol
Molecular Formula C11H11ClN4OS
Exact Mass 282.03421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cKzX6FLVnG
Name MQCZRKAORUIQDB-UHFFFAOYSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11ClN4OS
InChI InChI=1S/C11H10N4OS.ClH/c1-6-2-3-8-9-14(11(13)17-8)5-7(4-12)10(16)15(6)9;/h5-6,13H,2-3H2,1H3;1H
InChIKey MQCZRKAORUIQDB-UHFFFAOYSA-N
Literature Reference Author I.BITTER,G.TOTH,B.PETE,A.ALMASY,I.HERMECZ,Z.MESZAROS
Literature Reference Citation HETEROCYCLES,23,2289(1985)
Literature Reference DOI 10.3987/R-1985-09-2289
Molecular Weight 282.748 g/mol
Solvent DMSO-D6
Source File Reference UWED5324