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4-[2-[4-(1,2-DIMETHYL-5-NITRO-1H-IMIDAZOL-4-YL)-PHENYL]-1-HYDROXYETHYL]-BENZONITRILE
SpectraBase Compound ID GqCdSjKrrC8
InChI InChI=1S/C20H18N4O3/c1-13-22-19(20(23(13)2)24(26)27)17-9-3-14(4-10-17)11-18(25)16-7-5-15(12-21)6-8-16/h3-10,18,25H,11H2,1-2H3
InChIKey OXUVOCCKSUGESH-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C20H18N4O3
Exact Mass 362.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQ9mHVBOc7O
Name 4-[2-[4-(1,2-DIMETHYL-5-NITRO-1H-IMIDAZOL-4-YL)-PHENYL]-1-HYDROXYETHYL]-BENZONITRILE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N4O3
InChI InChI=1S/C20H18N4O3/c1-13-22-19(20(23(13)2)24(26)27)17-9-3-14(4-10-17)11-18(25)16-7-5-15(12-21)6-8-16/h3-10,18,25H,11H2,1-2H3
InChIKey OXUVOCCKSUGESH-UHFFFAOYSA-N
Literature Reference Author T.JUSPIN,L.ZINK,M.D.CROZET,T.TERME,P.VANELLE
Literature Reference Citation MOLECULES,16,6883(2011)
Literature Reference DOI 10.3390/molecules16086883
Molecular Weight 362.388 g/mol
Sample ID 72892
Solvent DMSO-D6