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3,4-dihydro-4'-nitro-3-oxo-1-phenyl-2(1H)-isoquinolinecarboxanilide
SpectraBase Compound ID 6HSt3KAq9Rh
InChI InChI=1S/C22H17N3O4/c26-20-14-16-8-4-5-9-19(16)21(15-6-2-1-3-7-15)24(20)22(27)23-17-10-12-18(13-11-17)25(28)29/h1-13,21H,14H2,(H,23,27)
InChIKey FILMWOVQKVVVAP-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C22H17N3O4
Exact Mass 387.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3dlUC7n0IJ
Name 3,4-Dihydro-4'-nitro-3-oxo-1-phenyl-2(1H)-isoquinolinecarboxanilide
Comments Computed using HOSE algorithm
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Exact Mass 387.121906035 u
Formula C22H17N3O4
InChI InChI=1S/C22H17N3O4/c26-20-14-16-8-4-5-9-19(16)21(15-6-2-1-3-7-15)24(20)22(27)23-17-10-12-18(13-11-17)25(28)29/h1-13,21H,14H2,(H,23,27)
InChIKey FILMWOVQKVVVAP-UHFFFAOYSA-N
Molecular Weight 387.395 g/mol
SMILES N(C(N1C(CC=2C=CC=CC2C1C=1C=CC=CC1)=O)=O)C1=CC=C(C=C1)N(=O)=O