3236-63-3

2,2'-亞甲基-雙-(4-甲基苯酚)(3236-63-3)質譜(MS)

產品名稱:2,2'-亞甲基-雙-(4-甲基苯酚)

CAS:3236-63-3

分子式:C15H16O2

分子量: 228.29

InChI:InChI=1S/C15H16O2/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17/h3-8,16-17H,9H2,1-2H3

InChIKey: XZXYQEHISUMZAT-UHFFFAOYSA-N

Smiles:C(C1=CC(C)=CC=C1O)C1=CC(C)=CC=C1O

Mass

MS-IW-6461          
2,2'-methylenebis(p-cresol)
C15H16O2            (Mass of molecular ion:    228)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      39.0       1.5
      51.0       1.7
      53.0       1.3
      55.0       1.0
      63.0       1.0
      65.0       2.3
      76.0       1.3
      77.0       5.8
      78.0       1.4
      79.0       1.9
      89.0       1.7
      90.0       1.7
      91.0       7.3
      92.0       2.8
      93.0       1.6
      97.0       2.0
      99.0       1.2
     104.0       3.3
     105.0       2.1
     106.0       1.2
     107.0      12.2
     108.0      71.5
     109.0       5.5
     113.0       3.4
     114.0       5.0
     115.0       2.0
     119.0       2.1
     120.0       4.0
     121.0     100.0
     122.0       9.9
     128.0       1.3
     141.0       1.2
     145.0       1.0
     152.0       1.9
     153.0       1.2
     165.0       5.2
     166.0       3.5
     167.0       1.4
     181.0       1.7
     195.0       6.8
     196.0       1.4
     197.0       1.3
     208.0       1.0
     209.0       4.7
     210.0       1.7
     211.0       2.3
     212.0       1.2
     213.0       2.1
     227.0       4.8
     228.0      95.2
     229.0      15.7
     230.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₆ O₂	0.038 g : 0.5 ml CDCl₃
2,2'-methylenebis(p-cresol)

    Assign.     Shift(ppm)

      A             7.67
      B             7.070
      C             6.836
      D             6.685
      E             3.837
      F             2.237

     Hz     ppm     Int.

   3065.31   7.670    484
   2826.66   7.073    195
   2824.58   7.068    196
   2737.67   6.851     97
   2737.18   6.849     96
   2735.47   6.845     95
   2729.49   6.830    119
   2729.00   6.829    119
   2727.42   6.825    115
   2675.17   6.694    281
   2666.99   6.674    219
   1533.57   3.838    321
    894.04   2.238   1000

in CDCl3