2467-03-0

2,4'-二羥基二苯甲烷(2467-03-0)質(zhì)譜(MS)

產(chǎn)品名稱:2,4'-二羥基二苯甲烷

CAS:2467-03-0

分子式:C13H12O2

分子量: 200.23

InChI:InChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2

InChIKey: LVLNPXCISNPHLE-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1CC1=CC=C(O)C=C1

Mass

MS-NW-9460          
2,4'-methylenediphenol
C13H12O2            (Mass of molecular ion:    200)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.9
      27.0       1.8
      39.0       4.2
      50.0       1.1
      51.0       4.5
      52.0       1.5
      53.0       2.2
      55.0       5.0
      63.0       3.0
      64.0       1.4
      65.0       2.6
      66.0       1.4
      75.0       1.0
      76.0       4.6
      77.0      10.6
      78.0       5.7
      79.0       3.6
      82.0       2.4
      89.0       1.3
      90.0       1.5
      90.5       1.6
      91.0       3.4
      94.0      31.7
      95.0       2.2
     100.0       2.2
     105.0       1.6
     106.0       2.1
     107.0     100.0
     108.0       7.7
     115.0       4.2
     127.0       2.0
     128.0       3.3
     131.0       1.7
     139.0       1.0
     141.0       2.2
     151.0       1.9
     152.0       8.0
     153.0       6.6
     154.0       1.1
     157.0       1.2
     165.0       2.4
     169.0       1.5
     171.0       1.9
     181.0       9.7
     182.0       2.2
     183.0       4.7
     197.0       1.5
     199.0       8.3
     200.0      52.2
     201.0       7.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₂ O₂	0.033 g : 0.5 ml DMSO-d₆
2,4'-methylenediphenol

    Assign.     Shift(ppm)

      A     *1      9.33
      B     *1      9.15
      C             7.01
      D             6.99
      E             6.98
      F             6.797
      G             6.69
      J             6.660
      K             3.745
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

   3730.62   9.335    578
   3656.16   9.149    618
   2805.63   7.021    571
   2803.50   7.015    271
   2801.21   7.010    210
   2797.09   6.999    695
   2793.58   6.991    667
   2786.25   6.972    533
   2720.03   6.807    290
   2712.55   6.788    254
   2682.34   6.712    176
   2681.12   6.709    183
   2675.02   6.694    296
   2673.95   6.691    279
   2667.54   6.675    227
   2665.71   6.671    830
   2663.57   6.665    290
   2659.15   6.654    244
   2657.17   6.649    727
   2654.27   6.642    102
   1496.73   3.746   1000

in DMSO-d6