42019-78-3

4-氯-4'-羟基二苯甲酮(42019-78-3)质谱(MS)

产品名称:4-氯-4'-羟基二苯甲酮

CAS:42019-78-3

分子式:C13H9ClO2

分子量: 232.66

InChI:InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H

InChIKey: RUETVLNXAGWCDS-UHFFFAOYSA-N

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

Mass

MS-NW-9690          
4-chloro-4'-hydroxybenzophenone
C13H9ClO2           (Mass of molecular ion:    232)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.6
      39.0       3.7
      50.0       1.3
      51.0       1.0
      63.0       1.5
      65.0       8.3
      70.0       1.2
      74.0       1.0
      75.0       5.4
      76.0       1.3
      84.0       1.7
      93.0      10.9
     102.0       4.2
     103.0       1.4
     111.0      10.6
     113.0       3.6
     121.0     100.0
     122.0       7.8
     139.0      16.6
     140.0       1.7
     141.0       5.5
     175.0       1.0
     197.0       8.7
     198.0       1.3
     232.0      36.7
     233.0       5.8
     234.0      12.4
     235.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₉ Cl O₂	0.033 g : 0.5 ml DMSO-d₆
4-chloro-4'-hydroxybenzophenone

    Assign.     Shift(ppm)

      A            10.51
      B             7.70
      C             7.68
      D             7.607
      E             6.924

     Hz     ppm     Int.

   4200.44  10.511    190
   3084.11   7.718     55
   3081.67   7.711    413
   3079.68   7.706    152
   3075.10   7.695    237
   3073.27   7.690   1000
   3071.59   7.686    237
   3066.71   7.674    170
   3064.73   7.669    548
   3061.98   7.662     73
   3045.81   7.622     98
   3043.52   7.616    654
   3041.53   7.611    183
   3036.96   7.600    151
   3034.97   7.595    406
   3032.68   7.589     57
   2774.35   6.942     62
   2771.61   6.936    546
   2769.62   6.931    160
   2764.89   6.919    156
   2762.91   6.914    512
   2760.01   6.907     61

in DMSO-d6