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2-(4-Methyl-2-nitro-phenoxy)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
SpectraBase Compound ID IvQwsdmliUg
InChI InChI=1S/C23H21N3O4/c1-16-8-13-22(21(14-16)26(28)29)30-15-23(27)25-24-17(2)18-9-11-20(12-10-18)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)/b24-17+
InChIKey BQRGUDPZPQIVGK-JJIBRWJFSA-N
Mol Weight 403.44 g/mol
Molecular Formula C23H21N3O4
Exact Mass 403.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bb7ApfKRMY4
Name 2-(4-Methyl-2-nitro-phenoxy)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 403.153206164 u
Formula C23H21N3O4
InChI InChI=1S/C23H21N3O4/c1-16-8-13-22(21(14-16)26(28)29)30-15-23(27)25-24-17(2)18-9-11-20(12-10-18)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)/b24-17+
InChIKey BQRGUDPZPQIVGK-JJIBRWJFSA-N
Molecular Weight 403.438 g/mol
SMILES C1=C(C(=CC(=C1)C)N(=O)=O)OCC(N\N=C/(C)C1=CC=C(C=C1)C1=CC=CC=C1)=O