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(1,3-DIACETYL-2,3-DIHYDRO-1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
SpectraBase Compound ID 68crbVt4BCX
InChI InChI=1S/C13H13N3O2/c1-9(17)15-11-5-3-4-6-12(11)16(10(2)18)13(15)7-8-14/h3-6,13H,7H2,1-2H3
InChIKey VCPOODDMVMAGGY-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID afkTteU1Ik
Name (1,3-DIACETYL-2,3-DIHYDRO-1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-9(17)15-11-5-3-4-6-12(11)16(10(2)18)13(15)7-8-14/h3-6,13H,7H2,1-2H3
InChIKey VCPOODDMVMAGGY-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 243.265 g/mol
Sample ID 73054
Solvent DMSO-D6