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4-AMINO-2,6-BIS-(1-METHYL-1H-IMIDAZOL-4-YL)-5-(1-METHYL-1H-IMIDAZOL-4-CARBONYL)-ISOPHTHALONITRILE
SpectraBase Compound ID 5deNyCto3Qy
InChI InChI=1S/C21H17N9O/c1-28-6-14(25-9-28)17-12(4-22)18(15-7-29(2)10-26-15)19(20(24)13(17)5-23)21(31)16-8-30(3)11-27-16/h6-11H,24H2,1-3H3
InChIKey MSSLGTYAZZHIFL-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C21H17N9O
Exact Mass 411.155606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWUOhoJHIYx
Name 4-AMINO-2,6-BIS-(1-METHYL-1H-IMIDAZOL-4-YL)-5-(1-METHYL-1H-IMIDAZOL-4-CARBONYL)-ISOPHTHALONITRILE
Compound Number 23C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N9O
InChI InChI=1S/C21H17N9O/c1-28-6-14(25-9-28)17-12(4-22)18(15-7-29(2)10-26-15)19(20(24)13(17)5-23)21(31)16-8-30(3)11-27-16/h6-11H,24H2,1-3H3
InChIKey MSSLGTYAZZHIFL-UHFFFAOYSA-N
Literature Reference Author H.M.AL-MATAR,K.D.KHALIL,M.F.AL-KANDERI,M.H.ELNAGDI
Literature Reference Citation MOLECULES,17,897(2012)
Literature Reference DOI 10.3390/molecules17010897
Molecular Weight 411.426 g/mol
Sample ID 73063
Solvent DMSO-D6