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4,4'-Biphenylene bis(4-aminobenzoate)

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4,4'-Biphenylene bis(4-aminobenzoate)
SpectraBase Compound ID CHG45ZpkNHD
InChI InChI=1S/C26H20N2O4/c27-21-9-1-19(2-10-21)25(29)31-23-13-5-17(6-14-23)18-7-15-24(16-8-18)32-26(30)20-3-11-22(28)12-4-20/h1-16H,27-28H2
InChIKey LHUKBOMRMBTNBM-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C26H20N2O4
Exact Mass 424.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kc4Jnj1jmH
Name 4,4'-Biphenylene bis(4-aminobenzoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.142307128 u
Formula C26H20N2O4
InChI InChI=1S/C26H20N2O4/c27-21-9-1-19(2-10-21)25(29)31-23-13-5-17(6-14-23)18-7-15-24(16-8-18)32-26(30)20-3-11-22(28)12-4-20/h1-16H,27-28H2
InChIKey LHUKBOMRMBTNBM-UHFFFAOYSA-N
Molecular Weight 424.456 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)N)C1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)N