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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>913-86-0更多圖譜> 1,1,2,2-四(4-甲基苯基)-1,2-乙二醇(913-86-0)紅外圖譜(IR2)

913-86-0

1,1,2,2-四(4-甲基苯基)-1,2-乙二醇(913-86-0)紅外圖譜(IR2)

分子式:C30H30O2

分子量: 422.56

InChI:InChI=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

Smiles:C(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

  • 圖譜
    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

  • 圖譜

    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
    ChemicalStructure 
        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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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