90-97-1

4,4'-二氯二苯甲醇(90-97-1)质谱(MS)

产品名称:4,4'-二氯二苯甲醇

CAS:90-97-1

分子式:C13H10Cl2O

分子量: 253.12

InChI:InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H

InChIKey: PHUYGURFBULKPA-UHFFFAOYSA-N

Smiles:C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1

Mass

MS-NW-9786          
bis(p-chlorophenyl)methanol
C13H10Cl2O          (Mass of molecular ion:    252)

   Source Temperature: 150 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      17.0       1.2
      18.0       6.3
      29.0       1.0
      50.0       2.7
      51.0       5.0
      63.0       1.6
      74.0       1.4
      75.0       7.1
      76.0       3.8
      77.0      22.8
      78.0       2.6
      81.5       1.1
      82.0       1.7
     105.0       5.6
     111.0      10.9
     112.0      10.2
     113.0      10.9
     114.0       3.9
     115.0       2.5
     139.0     100.0
     140.0      12.5
     141.0      41.9
     142.0       4.7
     143.0       3.3
     151.0       1.0
     152.0       3.9
     153.0       1.7
     163.0       2.3
     164.0       2.2
     165.0       6.2
     166.0       1.0
     199.0       3.4
     200.0       1.1
     201.0       1.5
     217.0      12.1
     218.0       1.8
     219.0       3.9
     235.0       1.8
     237.0       1.1
     251.0       2.9
     252.0      18.6
     253.0       4.5
     254.0      11.9
     255.0       2.0
     256.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₀ Cl₂ O	0.029 g : 0.5 ml CDCl₃
bis(p-chlorophenyl)methanol

    Assign.     Shift(ppm)

      A             7.292
      B             7.258
      C             5.744
      D             2.5

     Hz     ppm     Int.

   2922.61   7.313     40
   2920.65   7.309    303
   2918.46   7.303    140
   2914.31   7.293    203
   2911.99   7.287   1000
   2910.16   7.282    225
   2905.27   7.270    164
   2903.32   7.265    870
   2901.12   7.260    215
   2894.78   7.244    306
   2295.65   5.745    272

in CDCl3