25913-05-7

4-氟-4'-羟基二苯甲酮(25913-05-7)质谱(MS)

产品名称:4-氟-4'-羟基二苯甲酮

CAS:25913-05-7

分子式:C13H9FO2

分子量: 216.21

InChI:InChI=1S/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H

InChIKey: HLRVUOFDBXRZBI-UHFFFAOYSA-N

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

Mass

MS-IW-1351          
4-fluoro-4'-hydroxybenzophenone
C13H9FO2            (Mass of molecular ion:    216)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       3.8
      63.0       1.6
      65.0       7.9
      75.0       4.8
      93.0      12.6
      94.0       6.6
      95.0      18.2
      96.0       1.3
     121.0     100.0
     122.0       7.9
     123.0      30.2
     124.0       2.3
     133.0       2.2
     157.0       1.2
     159.0       3.0
     187.0       1.5
     199.0       3.3
     215.0       7.7
     216.0      63.4
     217.0       9.8
     218.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₉ F O₂	0.042 g : 0.5 ml DMSO-d₆
4-fluoro-4'-hydroxybenzophenone

    Assign.     Shift(ppm)

      A            10.5
      B             7.771
      C             7.677
      D             7.368
      E             6.929

     Hz     ppm     Int.

   4186.70  10.476    786
   3116.15   7.798     69
   3113.10   7.790    435
   3111.27   7.785    238
   3107.60   7.776    480
   3104.55   7.769    582
   3101.20   7.760    222
   3098.91   7.755    503
   3096.16   7.748    108
   3075.41   7.696    119
   3072.66   7.689    880
   3070.83   7.684    420
   3065.95   7.672    288
   3063.96   7.667   1000
   3061.37   7.661    201
   2956.24   7.398     73
   2953.34   7.390    480
   2951.51   7.386    230
   2946.78   7.374    190
   2944.64   7.369    885
   2942.66   7.364    309
   2937.93   7.352    150
   2935.79   7.346    457
   2933.04   7.340     89
   2776.18   6.947    128
   2773.44   6.940    940
   2771.61   6.936    430
   2766.72   6.923    274
   2764.89   6.919    937
   2762.15   6.912    186

KBr disc