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4'-butyl-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)[1,1'-biphenyl]-4-carboxamide

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4'-butyl-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)[1,1'-biphenyl]-4-carboxamide
SpectraBase Compound ID 5RlahXFrwNR
InChI InChI=1S/C31H25NO3/c1-2-3-7-20-12-14-21(15-13-20)22-16-18-23(19-17-22)31(35)32-27-11-6-10-26-28(27)30(34)25-9-5-4-8-24(25)29(26)33/h4-6,8-19H,2-3,7H2,1H3,(H,32,35)
InChIKey VJXOODHLWMVKNE-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C31H25NO3
Exact Mass 459.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPu7qr8eyvc
Name 4'-Butyl-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)[1,1'-biphenyl]-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.183443666 u
Formula C31H25NO3
InChI InChI=1S/C31H25NO3/c1-2-3-7-20-12-14-21(15-13-20)22-16-18-23(19-17-22)31(35)32-27-11-6-10-26-28(27)30(34)25-9-5-4-8-24(25)29(26)33/h4-6,8-19H,2-3,7H2,1H3,(H,32,35)
InChIKey VJXOODHLWMVKNE-UHFFFAOYSA-N
Molecular Weight 459.545 g/mol
SMILES N(C=1C=2C(C=3C=CC=CC3C(C2C=CC1)=O)=O)C(C=1C=CC(=CC1)C=1C=CC(=CC1)CCCC)=O