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N,o-bis(4-Nitrobenzoyl)-4-methoxybenzamidoxime

View entire compound with spectra: 1 NMR

N,o-bis(4-Nitrobenzoyl)-4-methoxybenzamidoxime
SpectraBase Compound ID 4a1jP6ZlO98
InChI InChI=1S/C22H16N4O8/c1-33-19-12-6-14(7-13-19)20(23-21(27)15-2-8-17(9-3-15)25(29)30)24-34-22(28)16-4-10-18(11-5-16)26(31)32/h2-13H,1H3,(H,23,24,27)
InChIKey ZMVGBNYTUHEILJ-UHFFFAOYSA-N
Mol Weight 464.39 g/mol
Molecular Formula C22H16N4O8
Exact Mass 464.096813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dEIqzeQkP0
Name N,o-bis(4-Nitrobenzoyl)-4-methoxybenzamidoxime
Comments Computed using HOSE algorithm
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Exact Mass 464.096813483 u
Formula C22H16N4O8
InChI InChI=1S/C22H16N4O8/c1-33-19-12-6-14(7-13-19)20(23-21(27)15-2-8-17(9-3-15)25(29)30)24-34-22(28)16-4-10-18(11-5-16)26(31)32/h2-13H,1H3,(H,23,24,27)
InChIKey ZMVGBNYTUHEILJ-UHFFFAOYSA-N
Molecular Weight 464.390 g/mol
SMILES C1(=CC=C(C=C1)N(=O)=O)C(O\N=C/(NC(=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=C(C=C1)OC)=O