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1-(4,5-DIMETHOXY-2-NITROPHENYL)-2-[4-(1,2-DIMETHYL-5-NITRO-1H-IMIDAZOL-4-YL)-PHENYL]-ETHANOL

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1-(4,5-DIMETHOXY-2-NITROPHENYL)-2-[4-(1,2-DIMETHYL-5-NITRO-1H-IMIDAZOL-4-YL)-PHENYL]-ETHANOL
SpectraBase Compound ID AEIUEbxRJC2
InChI InChI=1S/C21H22N4O7/c1-12-22-20(21(23(12)2)25(29)30)14-7-5-13(6-8-14)9-17(26)15-10-18(31-3)19(32-4)11-16(15)24(27)28/h5-8,10-11,17,26H,9H2,1-4H3
InChIKey SZGWIKWXJVSMIS-UHFFFAOYSA-N
Mol Weight 442.43 g/mol
Molecular Formula C21H22N4O7
Exact Mass 442.148849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wh3fuhblXM
Name 1-(4,5-DIMETHOXY-2-NITROPHENYL)-2-[4-(1,2-DIMETHYL-5-NITRO-1H-IMIDAZOL-4-YL)-PHENYL]-ETHANOL
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O7
InChI InChI=1S/C21H22N4O7/c1-12-22-20(21(23(12)2)25(29)30)14-7-5-13(6-8-14)9-17(26)15-10-18(31-3)19(32-4)11-16(15)24(27)28/h5-8,10-11,17,26H,9H2,1-4H3
InChIKey SZGWIKWXJVSMIS-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 442.428 g/mol
Sample ID 72893
Solvent DMSO-D6