808-12-8

1,2-双(4-甲基苯基)-1,2-二苯基-1,2-乙二醇(808-12-8)红外图谱(IR2)

分子式:C28H26O2

分子量: 394.5

InChI:InChI=1S/C28H26O2/c1-21-13-17-25(18-14-21)27(29,23-9-5-3-6-10-23)28(30,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26/h3-20,29-30H,1-2H3

InChIKey: YOCSNHRJFCUGEU-UHFFFAOYSA-N

Smiles:C(C1=CC=C(C)C=C1)(C1=CC=CC=C1)(O)C(C1=CC=C(C)C=C1)(C1=CC=CC=C1)O

Mass

MS-IW-9292          
1,2-diphenyl-1,2-di(p-tolyl)ethylene glycol
C28H26O2            (Mass of molecular ion:    394)

   Source Temperature: 150 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       3.2
      27.0       1.0
      28.0       1.8
      39.0       5.3
      41.0       1.6
      50.0       2.5
      51.0       9.1
      62.0       1.1
      63.0       3.6
      64.0       1.1
      65.0      12.7
      75.0       1.0
      76.0       2.6
      77.0      25.4
      78.0       2.8
      79.0       1.0
      82.0       1.1
      83.0       2.0
      84.0       3.6
      89.0       4.4
      90.0       2.7
      91.0      30.1
      92.0       5.0
      93.0       2.2
     105.0      34.6
     106.0       2.7
     115.0       1.2
     119.0     100.0
     120.0       9.3
     121.0       1.4
     151.0       1.0
     152.0       3.4
     153.0       1.3
     165.0       8.0
     166.0       3.3
     167.0      10.1
     168.0       2.1
     178.0       1.8
     179.0       2.1
     180.0       2.8
     181.0      11.9
     182.0       7.7
     183.0       2.7
     195.0       2.0
     196.0      44.2
     197.0      10.7
     198.0       4.6
     257.0       1.4
     271.0       2.4
     360.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₂₆ O₂	0.039 g : 0.5 ml CDCl₃
1,2-diphenyl-1,2-di(p-tolyl)ethylene glycol

    Assign.     Shift(ppm)

      A             7.31
      B             7.15
      C             7.13
      D             6.97
      E             3.00
      F             2.274
      F             2.260
     
     D,L-MIXTURE.
     PARTIALLY ASSIGNED.

     Hz     ppm     Int.

   2932.01   7.337    149
   2930.42   7.333    108
   2929.44   7.331    144
   2927.37   7.325    142
   2925.90   7.322    195
   2923.46   7.316    264
   2922.12   7.312    284
   2921.14   7.310    257
   2918.58   7.303    177
   2917.36   7.300    225
   2916.14   7.297    133
   2914.55   7.293    168
   2913.70   7.291    235
   2910.89   7.284     40
   2908.94   7.279     33
   2873.29   7.190     30
   2870.24   7.182     38
   2867.07   7.174    109
   2863.28   7.165    594
   2860.72   7.159    464
   2857.79   7.151    538
   2856.32   7.148    530
   2855.47   7.145    499
   2852.54   7.138    410
   2849.61   7.131    645
   2845.83   7.121    124
   2844.24   7.117    145
   2842.41   7.113    326
   2840.21   7.107     85
   2791.63   6.986    223
   2791.02   6.984    234
   2783.69   6.966    425
   2775.76   6.946    256
   1198.00   2.998    383
    908.81   2.275    769
    903.20   2.260   1000

in CDCl3