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1,2-Diphenyl-4-[(p-methoxyanilino)methylene]-3,5-pyrazolindinedione
SpectraBase Compound ID EdT1VWN6wta
InChI InChI=1S/C23H19N3O3/c1-29-20-14-12-17(13-15-20)24-16-21-22(27)25(18-8-4-2-5-9-18)26(23(21)28)19-10-6-3-7-11-19/h2-16,24H,1H3
InChIKey OULPHASWLAEEOT-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C23H19N3O3
Exact Mass 385.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJdDmt2BhPN
Name 1,2-Diphenyl-4-[(p-methoxyanilino)methylene]-3,5-pyrazolindinedione
Comments Computed using HOSE algorithm
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Exact Mass 385.142641481 u
Formula C23H19N3O3
InChI InChI=1S/C23H19N3O3/c1-29-20-14-12-17(13-15-20)24-16-21-22(27)25(18-8-4-2-5-9-18)26(23(21)28)19-10-6-3-7-11-19/h2-16,24H,1H3
InChIKey OULPHASWLAEEOT-UHFFFAOYSA-N
Molecular Weight 385.423 g/mol
SMILES N(C1=CC=C(C=C1)OC)C=C1C(N(N(C1=O)C=1C=CC=CC1)C=1C=CC=CC1)=O