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5-Nitro-2-(4-phenylazo-phenyl)-isoindole-1,3-dione

View entire compound with spectra: 1 NMR

5-Nitro-2-(4-phenylazo-phenyl)-isoindole-1,3-dione
SpectraBase Compound ID CdBUuclA1Yd
InChI InChI=1S/C20H12N4O4/c25-19-17-11-10-16(24(27)28)12-18(17)20(26)23(19)15-8-6-14(7-9-15)22-21-13-4-2-1-3-5-13/h1-12H/b22-21+
InChIKey JJNSRDABDCDPLM-QURGRASLSA-N
Mol Weight 372.34 g/mol
Molecular Formula C20H12N4O4
Exact Mass 372.085855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yS40tieFTi
Name 5-Nitro-2-(4-phenylazo-phenyl)-isoindole-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 372.085854878 u
Formula C20H12N4O4
InChI InChI=1S/C20H12N4O4/c25-19-17-11-10-16(24(27)28)12-18(17)20(26)23(19)15-8-6-14(7-9-15)22-21-13-4-2-1-3-5-13/h1-12H/b22-21+
InChIKey JJNSRDABDCDPLM-QURGRASLSA-N
Molecular Weight 372.340 g/mol
SMILES C1(N2C(C3=CC(N(=O)=O)=CC=C3C2=O)=O)=CC=C(\N=N\C2=CC=CC=C2)C=C1