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1,3-Diphenylpropan-2-one o-(2-methyl-4-nitro-1H-imidazol-1-yl) methyl oxime
SpectraBase Compound ID FbZi6XgYEY7
InChI InChI=1S/C20H20N4O3/c1-16-21-20(24(25)26)14-23(16)15-27-22-19(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,14H,12-13,15H2,1H3
InChIKey QQXYVMMDHQNSHV-UHFFFAOYSA-N
Mol Weight 364.41 g/mol
Molecular Formula C20H20N4O3
Exact Mass 364.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXdybmRx97L
Name 1,3-Diphenylpropan-2-one o-(2-methyl-4-nitro-1H-imidazol-1-yl) methyl oxime
Comments Computed using HOSE algorithm
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Exact Mass 364.153540517 u
Formula C20H20N4O3
InChI InChI=1S/C20H20N4O3/c1-16-21-20(24(25)26)14-23(16)15-27-22-19(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,14H,12-13,15H2,1H3
InChIKey QQXYVMMDHQNSHV-UHFFFAOYSA-N
Molecular Weight 364.405 g/mol
SMILES C=1(N=C(C)N(C1)CON=C(CC1=CC=CC=C1)CC=1C=CC=CC1)N(=O)=O