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1-(2-CYANOETHYL)-3-(2-METHOXY-2-OXOETHYL)-1H-BENZO-[D]-IMIDAZOL-3-IUM-BROMIDE
SpectraBase Compound ID LUpoWvN2ij7
InChI InChI=1S/C13H14N3O2.BrH/c1-18-13(17)9-16-10-15(8-4-7-14)11-5-2-3-6-12(11)16;/h2-3,5-6,10H,4,8-9H2,1H3;1H/q+1;/p-1
InChIKey IHYBDPPUFKAXCZ-UHFFFAOYSA-M
Mol Weight 324.18 g/mol
Molecular Formula C13H14BrN3O2
Exact Mass 323.02694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HogS3ebjHNQ
Name 1-(2-CYANOETHYL)-3-(2-METHOXY-2-OXOETHYL)-1H-BENZO-[D]-IMIDAZOL-3-IUM-BROMIDE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14BrN3O2
InChI InChI=1S/C13H14N3O2.BrH/c1-18-13(17)9-16-10-15(8-4-7-14)11-5-2-3-6-12(11)16;/h2-3,5-6,10H,4,8-9H2,1H3;1H/q+1;/p-1
InChIKey IHYBDPPUFKAXCZ-UHFFFAOYSA-M
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 324.177 g/mol
Sample ID 69084
Solvent DMSO-D6