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1-(CARBAMOYLMETHYL)-3-(2-CYANOETHYL)-3H-BENZO-[D]-IMIDAZOL-1-IUM-IODIDE
SpectraBase Compound ID AMDImb2e7y8
InChI InChI=1S/C12H12N4O.HI/c13-6-3-7-15-9-16(8-12(14)17)11-5-2-1-4-10(11)15;/h1-2,4-5,9H,3,7-8H2,(H-,14,17);1H
InChIKey NLMVHPDOIFOKQJ-UHFFFAOYSA-N
Mol Weight 356.17 g/mol
Molecular Formula C12H13IN4O
Exact Mass 356.013406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tSAzAGQtOb
Name 1-(CARBAMOYLMETHYL)-3-(2-CYANOETHYL)-3H-BENZO-[D]-IMIDAZOL-1-IUM-IODIDE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13IN4O
InChI InChI=1S/C12H12N4O.HI/c13-6-3-7-15-9-16(8-12(14)17)11-5-2-1-4-10(11)15;/h1-2,4-5,9H,3,7-8H2,(H-,14,17);1H
InChIKey NLMVHPDOIFOKQJ-UHFFFAOYSA-N
Literature Reference Author G.ZBANCIOC,V.BEJAN,M.RISCA,C.MOLDOVEANU,I.I.MANGALAGIU
Literature Reference Citation MOLECULES,14,403(2009)
Literature Reference DOI 10.3390/molecules14010403
Molecular Weight 356.166 g/mol
Sample ID 69083
Solvent DMSO-D6