2,2’-亞甲基雙苯酚(2467-02-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2,2’-亞甲基雙苯酚

CAS:2467-02-9

分子式:C13H12O2

分子量: 200.23

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

InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N

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

Mass

MS-NW-9454          
2,2'-methylenediphenol
C13H12O2            (Mass of molecular ion:    200)

   Source Temperature: 220 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      63.0       1.0
      76.0       1.8
      77.0       4.7
      78.0       2.7
      79.0       2.2
      90.5       1.0
      91.0       2.2
      94.0      20.4
      95.0       1.4
     100.0       1.9
     106.0       1.5
     107.0     100.0
     108.0       7.8
     115.0       3.8
     127.0       1.9
     128.0       3.1
     131.0       1.6
     141.0       1.7
     151.0       2.2
     152.0       9.5
     153.0       6.4
     154.0       1.0
     165.0       1.7
     171.0       1.5
     181.0      11.8
     182.0       2.4
     183.0       1.6
     199.0       2.5
     200.0      61.7
     201.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₂ O₂	0.031 g : 0.5 ml CDCl₃
2,2'-methylenediphenol

    Assign.     Shift(ppm)

      A             7.635
      B             7.273
      C             7.058
      D             6.882
      E             6.800
      F             3.925

     Hz     ppm     Int.

   3051.27   7.635   1000
   2911.74   7.286    311
   2910.28   7.283    312
   2904.17   7.267    344
   2902.47   7.263    329
   2829.71   7.081    200
   2828.00   7.077    200
   2825.07   7.069     39
   2822.27   7.062    303
   2821.78   7.061    299
   2820.56   7.058    289
   2820.07   7.057    276
   2817.26   7.050     30
   2816.65   7.048     30
   2814.33   7.042    283
   2812.62   7.038    257
   2757.93   6.901    276
   2756.71   6.898    299
   2750.49   6.883    455
   2749.27   6.880    473
   2744.87   6.869     30
   2743.04   6.864    227
   2741.82   6.861    222
   2721.92   6.811    437
   2720.83   6.809    395
   2713.87   6.791    381
   2712.77   6.788    335
   1568.85   3.926    773

in CDCl3