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2-[[4-[benzotriazol-2-yl-(4-methylphenyl)methyl]phenyl]-(4-methylphenyl)-phenylmethyl]benzotriazole
SpectraBase Compound ID CBatSAnCMag
InChI InChI=1S/C40H32N6/c1-28-16-20-30(21-17-28)39(45-41-35-12-6-7-13-36(35)42-45)31-22-26-34(27-23-31)40(32-10-4-3-5-11-32,33-24-18-29(2)19-25-33)46-43-37-14-8-9-15-38(37)44-46/h3-27,39H,1-2H3
InChIKey PQYWBQSFSOSIAS-UHFFFAOYSA-N
Mol Weight 596.7 g/mol
Molecular Formula C40H32N6
Exact Mass 596.268845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXCigjOjWRM
Name 2-[[4-[benzotriazol-2-yl-(4-methylphenyl)methyl]phenyl]-(4-methylphenyl)-phenylmethyl]benzotriazole
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H32N6
InChI InChI=1S/C40H32N6/c1-28-16-20-30(21-17-28)39(45-41-35-12-6-7-13-36(35)42-45)31-22-26-34(27-23-31)40(32-10-4-3-5-11-32,33-24-18-29(2)19-25-33)46-43-37-14-8-9-15-38(37)44-46/h3-27,39H,1-2H3
InChIKey PQYWBQSFSOSIAS-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,B.YANG,D.P.M.PLEYNET
Literature Reference Citation J.ORG.CHEM.,63,9992(1998)
Literature Reference DOI 10.1021/jo980618f
Molecular Weight 596.734 g/mol
Sample ID 26923
Solvent Unknown