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3-[(2-Chlorobenzoyl)amino]phenyl [1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID 126rI9dfxTt
InChI InChI=1S/C26H18ClNO3/c27-24-12-5-4-11-23(24)25(29)28-21-9-6-10-22(17-21)31-26(30)20-15-13-19(14-16-20)18-7-2-1-3-8-18/h1-17H,(H,28,29)
InChIKey VHETUTJOJLNRPY-UHFFFAOYSA-N
Mol Weight 427.89 g/mol
Molecular Formula C26H18ClNO3
Exact Mass 427.097521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85iIOFA6K4r
Name 3-[(2-Chlorobenzoyl)amino]phenyl [1,1'-biphenyl]-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 427.097521141 u
Formula C26H18ClNO3
InChI InChI=1S/C26H18ClNO3/c27-24-12-5-4-11-23(24)25(29)28-21-9-6-10-22(17-21)31-26(30)20-15-13-19(14-16-20)18-7-2-1-3-8-18/h1-17H,(H,28,29)
InChIKey VHETUTJOJLNRPY-UHFFFAOYSA-N
Molecular Weight 427.887 g/mol
SMILES N(C(C=1C(Cl)=CC=CC1)=O)C=1C=C(OC(C=2C=CC(=CC2)C=2C=CC=CC2)=O)C=CC1