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N,o-bis(4-Nitrobenzoyl)-2-methoxybenzamidoxime

View entire compound with spectra: 1 NMR

N,o-bis(4-Nitrobenzoyl)-2-methoxybenzamidoxime
SpectraBase Compound ID Ce8HQA27yR1
InChI InChI=1S/C22H16N4O8/c1-33-19-5-3-2-4-18(19)20(23-21(27)14-6-10-16(11-7-14)25(29)30)24-34-22(28)15-8-12-17(13-9-15)26(31)32/h2-13H,1H3,(H,23,24,27)
InChIKey OELCMWUSZQMVLF-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 5WVH8Qf5QdS
Name N,o-bis(4-Nitrobenzoyl)-2-methoxybenzamidoxime
Comments Computed using HOSE algorithm
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Exact Mass 464.096813483 u
Formula C22H16N4O8
InChI InChI=1S/C22H16N4O8/c1-33-19-5-3-2-4-18(19)20(23-21(27)14-6-10-16(11-7-14)25(29)30)24-34-22(28)15-8-12-17(13-9-15)26(31)32/h2-13H,1H3,(H,23,24,27)
InChIKey OELCMWUSZQMVLF-UHFFFAOYSA-N
Molecular Weight 464.390 g/mol
SMILES C1(=C(C=CC=C1)\C(=N\OC(=O)C1=CC=C(C=C1)N(=O)=O)NC(=O)C1=CC=C(C=C1)N(=O)=O)OC