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1-(CARBAMOYLMETHYL)-3-(2-CYANOETHYL)-3H-IMIDAZOL-1-IUM-IODIDE
SpectraBase Compound ID Fqreql7CxG2
InChI InChI=1S/C8H10N4O.HI/c9-2-1-3-11-4-5-12(7-11)6-8(10)13;/h4-5,7H,1,3,6H2,(H-,10,13);1H
InChIKey SXTPFSDKOQUKOE-UHFFFAOYSA-N
Mol Weight 306.11 g/mol
Molecular Formula C8H11IN4O
Exact Mass 305.997756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WSrPMbjMzQ
Name 1-(CARBAMOYLMETHYL)-3-(2-CYANOETHYL)-3H-IMIDAZOL-1-IUM-IODIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11IN4O
InChI InChI=1S/C8H10N4O.HI/c9-2-1-3-11-4-5-12(7-11)6-8(10)13;/h4-5,7H,1,3,6H2,(H-,10,13);1H
InChIKey SXTPFSDKOQUKOE-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 306.106 g/mol
Sample ID 69080
Solvent DMSO-D6