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N,N'-(3,3'-Dimethyl-4,4'-biphenylene)bis(4-bromobenzamide)

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N,N'-(3,3'-Dimethyl-4,4'-biphenylene)bis(4-bromobenzamide)
SpectraBase Compound ID 9zAp4ckKNaK
InChI InChI=1S/C28H22Br2N2O2/c1-17-15-21(7-13-25(17)31-27(33)19-3-9-23(29)10-4-19)22-8-14-26(18(2)16-22)32-28(34)20-5-11-24(30)12-6-20/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKey CTDYASBSXNMUOW-UHFFFAOYSA-N
Mol Weight 578.3 g/mol
Molecular Formula C28H22Br2N2O2
Exact Mass 576.004804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIzaW4IBvqV
Name N,N'-(3,3'-Dimethyl-4,4'-biphenylene)bis(4-bromobenzamide)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.004803954 u
Formula C28H22Br2N2O2
InChI InChI=1S/C28H22Br2N2O2/c1-17-15-21(7-13-25(17)31-27(33)19-3-9-23(29)10-4-19)22-8-14-26(18(2)16-22)32-28(34)20-5-11-24(30)12-6-20/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKey CTDYASBSXNMUOW-UHFFFAOYSA-N
Molecular Weight 578.304 g/mol
SMILES C(NC=1C(C)=CC(C=2C=C(C)C(NC(C3=CC=C(C=C3)Br)=O)=CC2)=CC1)(C1=CC=C(C=C1)Br)=O