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5,5-dimethyl-1-oxido-2-phenylimidazol-1-ium-4-carbonitrile

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5,5-dimethyl-1-oxido-2-phenylimidazol-1-ium-4-carbonitrile
SpectraBase Compound ID 62v6nt27aO2
InChI InChI=1S/C12H11N3O/c1-12(2)10(8-13)14-11(15(12)16)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey IZIGBFFQTDQDIC-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmRySoTJIlG
Name 5,5-dimethyl-1-oxido-2-phenylimidazol-1-ium-4-carbonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c1-12(2)10(8-13)14-11(15(12)16)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey IZIGBFFQTDQDIC-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 213.239 g/mol
Source File Reference MHKO26734