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1,3,5-TRITRYLBENZENE

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1,3,5-TRITRYLBENZENE
SpectraBase Compound ID 4QCVG6NtNgh
InChI InChI=1S/C63H48/c1-10-28-49(29-11-1)61(50-30-12-2-13-31-50,51-32-14-3-15-33-51)58-46-59(62(52-34-16-4-17-35-52,53-36-18-5-19-37-53)54-38-20-6-21-39-54)48-60(47-58)63(55-40-22-7-23-41-55,56-42-24-8-25-43-56)57-44-26-9-27-45-57/h1-48H
InChIKey LCYITAUQRCHFAC-UHFFFAOYSA-N
Mol Weight 805.1 g/mol
Molecular Formula C63H48
Exact Mass 804.375602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTJmAG2DET8
Name 1,3,5-TRITRYLBENZENE
Compound Number 3-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H48
InChI InChI=1S/C63H48/c1-10-28-49(29-11-1)61(50-30-12-2-13-31-50,51-32-14-3-15-33-51)58-46-59(62(52-34-16-4-17-35-52,53-36-18-5-19-37-53)54-38-20-6-21-39-54)48-60(47-58)63(55-40-22-7-23-41-55,56-42-24-8-25-43-56)57-44-26-9-27-45-57/h1-48H
InChIKey LCYITAUQRCHFAC-UHFFFAOYSA-N
Literature Reference Author O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,283(2013)
Literature Reference DOI 10.1002/ejoc.201201162
Molecular Weight 805.074 g/mol
Solvent CDCl3
Source File Reference UWBT17420