2,2-二苯基乙酸(117-34-0)Raman光譜

產(chǎn)品名稱:2,2-二苯基乙酸

CAS:117-34-0

分子式:C14H12O2

分子量: 212.24

InChI:InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

InChIKey: PYHXGXCGESYPCW-UHFFFAOYSA-N

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

Mass

MS-NW-6886          
diphenylacetic acid
C14H12O2            (Mass of molecular ion:    212)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.4
      39.0       2.6
      50.0       1.3
      51.0       3.1
      63.0       2.7
      65.0       1.4
      69.5       1.1
      76.0       1.2
      77.0       2.6
      82.0       2.6
      82.5       3.7
      83.0       3.5
      89.0       1.9
      91.0       1.5
     115.0       2.9
     128.0       1.9
     139.0       2.3
     141.0       1.0
     151.0       1.3
     152.0      13.7
     153.0       2.9
     163.0       1.7
     164.0       2.5
     165.0      27.5
     166.0      11.1
     167.0     100.0
     168.0      18.8
     169.0       1.7
     212.0      16.8
     213.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ O₂	0.033 g : 0.5 ml CDCl₃
diphenylacetic acid

    Assign.     Shift(ppm)

      A             7.32
      B             7.27
      C             5.039

     Hz     ppm     Int.

   2931.76   7.336     99
   2926.63   7.323   1000
   2923.34   7.315    898
   2922.24   7.312    932
   2916.56   7.298     85
   2914.36   7.293    112
   2913.45   7.291    143
   2909.42   7.280    170
   2906.30   7.273    160
   2905.20   7.270    162
   2903.19   7.265    114
   2902.09   7.262     96
   2900.99   7.259    178
   2898.43   7.253     83
   2896.59   7.248     82
   2895.13   7.245     49
   2892.38   7.238     38
   2013.92   5.040    404

in CDCl3