1,1,2,2-TETRAKIS(4-METHYLPHENYL)-1,2-ETHANEDIOL(913-86-0) IR1

Product Name1,1,2,2-TETRAKIS(4-METHYLPHENYL)-1,2-ETHANEDIOL

Molecular FormulaC30H30O2

Molecular Weight422.56

InChIInChI=1S/C30H30O2/c1-21-5-13-25(14-6-21)29(31,26-15-7-22(2)8-16-26)30(32,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28/h5-20,31-32H,1-4H3

InChIKey UWVQXJFNNKWNLZ-UHFFFAOYSA-N

SmilesC(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)(O)C(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)O

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Mass

MS-IW-9078          
1,1,2,2-tetra(p-tolyl)-1,2-ethanediol
C30H30O2            (Mass of molecular ion:    422)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.4
      39.0       3.2
      41.0       1.2
      51.0       1.6
      63.0       2.4
      65.0      11.3
      77.0       1.9
      89.0       4.3
      90.0       4.3
      91.0      32.4
      92.0       4.6
      93.0       1.5
     104.0       1.2
     105.0       2.1
     119.0     100.0
     120.0       9.1
     121.0       2.0
     152.0       1.1
     165.0       5.1
     166.0       2.8
     167.0       1.1
     178.0       2.1
     179.0       2.2
     180.0       1.4
     181.0       9.1
     182.0       1.9
     194.0       1.4
     195.0      16.2
     196.0       7.1
     197.0       2.5
     209.0       1.1
     210.0      28.1
     211.0      13.8
     212.0       3.9
     285.0       1.7
     388.0       3.0
     389.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₀ H₃₀ O₂	0.040 g : 0.5 ml CDCl₃
1,1,2,2-tetra(p-tolyl)-1,2-ethanediol

    Assign.     Shift(ppm)

      A             7.150
      B             6.956
      C             2.96
      D             2.261

     Hz     ppm     Int.

   2864.14   7.167     67
   2862.06   7.162    356
   2860.23   7.157    136
   2855.59   7.146    158
   2853.76   7.141    437
   2851.56   7.136     77
   2783.94   6.966    315
   2783.45   6.965    343
   2775.39   6.945    291
   2774.78   6.944    253
   1181.40   2.957    113
    903.69   2.262   1000

in CDCl3

KBr disc

nujol mull

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