1620-68-4

双（2-羟基-5-五甲基）-4-甲基酚(1620-68-4)质谱(MS)

分子式:C23H24O3

分子量: 348.43

InChI:InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3

InChIKey: MAQOZOILPAMFSW-UHFFFAOYSA-N

Smiles:C1(O)=C(CC2=CC(C)=CC=C2O)C=C(C)C=C1CC1=CC(C)=CC=C1O

¹HNMR

¹³CNMR

Mass

MS-KW-0238          
2,6-bis(2-hydroxy-5-methylbenzyl)-p-cresol
C23H24O3            (Mass of molecular ion:    348)

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

      17.0       1.3
      18.0       5.8
      27.0       1.8
      28.0       2.5
      39.0       3.0
      41.0       2.5
      43.0       2.3
      51.0       2.5
      52.0       1.1
      53.0       3.0
      55.0       2.5
      63.0       1.3
      65.0       4.1
      77.0      12.7
      78.0       2.8
      79.0       4.6
      80.0       1.1
      89.0       1.6
      90.0       1.3
      91.0      12.4
      92.0       3.3
      93.0       3.2
     103.0       1.9
     104.0       1.6
     105.0       5.9
     106.0       1.1
     107.0      11.2
     108.0      42.2
     109.0       3.7
     115.0       3.8
     116.0       1.3
     119.0       3.1
     120.0       5.3
     121.0     100.0
     122.0      10.4
     123.0       1.0
     127.0       1.5
     128.0       3.2
     129.0       2.1
     131.0       1.4
     132.0       1.1
     133.0      12.4
     134.0       1.9
     135.0       1.1
     139.0       1.0
     141.0       2.7
     142.0       1.6
     143.0       1.0
     145.0       2.2
     152.0       3.0
     153.0       2.6
     154.0       1.2
     155.0       1.4
     157.0       1.2
     165.0       6.5
     166.0       3.8
     167.0       1.9
     168.0       1.6
     169.0       1.3
     174.0       2.2
     178.0       3.1
     179.0       2.8
     180.0       1.2
     181.0       4.5
     182.0       2.6
     183.0       1.7
     193.0       1.2
     194.0       1.6
     195.0       7.2
     196.0       3.6
     197.0       3.5
     199.0       1.3
     207.0       1.1
     208.0       2.0
     209.0      10.2
     210.0       5.2
     211.0       4.5
     212.0       2.0
     213.0       1.2
     221.0       1.0
     222.0       2.8
     223.0      36.0
     224.0       8.3
     225.0      39.1
     226.0       7.1
     227.0      15.3
     228.0      55.7
     229.0       9.6
     230.0       1.1
     239.0      17.4
     240.0      54.4
     241.0      13.2
     242.0       1.9
     315.0       1.1
     329.0       1.8
     330.0       1.9
     348.0      47.8
     349.0      12.0
     350.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₃H₂₄O₃	0.041 g : 0.5 ml DMSO-d₆
2,6-bis(2-hydroxy-5-methylbenzyl)-p-cresol

    Assign.     Shift(ppm)

     A           9.37
     B           8.22
     C           6.81
     D           6.80
     E           6.713
     F           6.633
     G           3.776
     J           2.124
     K           2.055

     Hz     ppm     Int.

   3745.89   9.370     46
   3286.90   8.222     13
   2724.00   6.814    134
   2717.90   6.799    384
   2687.38   6.723    243
   2684.64   6.716     55
   2681.74   6.708     52
   2678.69   6.701    164
   2671.67   6.683      9
   2651.68   6.633    340
   1509.86   3.777    476
   1489.42   3.726     10
    910.95   2.279      8
    849.00   2.124   1000
    821.23   2.055    492
    785.37   1.965      8

in DMSO-d6