TETRAPHENYLENE, 95(212-74-8) ESR

Molecular FormulaC24H16

Molecular Weight304.38

InChIInChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H/b19-17-,20-18-,23-21-,24-22-

InChIKey KTQYWNARBMKMCX-LEYBOLSUSA-N

SmilesC1=C2C(C3C(C4C(C5C2=CC=CC=5)=CC=CC=4)=CC=CC=3)=CC=C1

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¹HNMR

ESR

    Parameter     ppm  Hz

      D(A)         7.119
      D(B)         6.994
       J(A,A')         7.47
       J(A,B)          7.64
       J(A,B')         1.35
       J(A',B)         1.35
       J(A',B')        7.64
       J(B,B')         0.55
     
     ERNST,L. ET AL. ORG.MAGN.RESON. 5, 125 (1973)

Spectral Code: 1H NMR : parameter in CS2

Spectral Code: ESR : ANION RADICAL, RED. WITH K IN THF/DME(2:1), -90C

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