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5-( o-Tolyl)-5,6-dihydro-11H-dibenzo[b,e]azepin-6,11-dione
SpectraBase Compound ID Ag6CgOj8DGN
InChI InChI=1S/C21H15NO2/c1-14-8-2-6-12-18(14)22-19-13-7-5-11-17(19)20(23)15-9-3-4-10-16(15)21(22)24/h2-13H,1H3
InChIKey PLYWYYPSXBKMCP-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C21H15NO2
Exact Mass 313.110279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dE7VOjc3jr
Name 5-( o-Tolyl)-5,6-dihydro-11H-dibenzo[B,E]azepin-6,11-dione
Comments Computed using HOSE algorithm
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Exact Mass 313.110278725 u
Formula C21H15NO2
InChI InChI=1S/C21H15NO2/c1-14-8-2-6-12-18(14)22-19-13-7-5-11-17(19)20(23)15-9-3-4-10-16(15)21(22)24/h2-13H,1H3
InChIKey PLYWYYPSXBKMCP-UHFFFAOYSA-N
Molecular Weight 313.356 g/mol
SMILES C1(N(C=2C(C(C=3C1=CC=CC3)=O)=CC=CC2)C=1C(C)=CC=CC1)=O