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2-[5-AMINO-1-(2-CHLOROETHYL)-1H-IMIDAZOL-4-YLMETHYLENE]-MALONONITRILE
SpectraBase Compound ID Hmbv9LoLr8j
InChI InChI=1S/C9H8ClN5/c10-1-2-15-6-14-8(9(15)13)3-7(4-11)5-12/h3,6H,1-2,13H2
InChIKey UNGSTZHYVPSTFM-UHFFFAOYSA-N
Mol Weight 221.65 g/mol
Molecular Formula C9H8ClN5
Exact Mass 221.046823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9jv1xBqmG8
Name 2-[5-AMINO-1-(2-CHLOROETHYL)-1H-IMIDAZOL-4-YLMETHYLENE]-MALONONITRILE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8ClN5
InChI InChI=1S/C9H8ClN5/c10-1-2-15-6-14-8(9(15)13)3-7(4-11)5-12/h3,6H,1-2,13H2
InChIKey UNGSTZHYVPSTFM-UHFFFAOYSA-N
Literature Reference Author R.CLAYTON,C.A.RAMSDEN
Literature Reference Citation J.HETCYCL.CHEM.,41,701(2004)
Literature Reference DOI 10.1002/jhet.5570410508
Molecular Weight 221.649 g/mol
Solvent DMSO-D6
Source File Reference UWLU22463