119-61-9

二苯甲酮(119-61-9)紅外圖譜(IR3)

產(chǎn)品名稱:二苯甲酮

CAS:119-61-9

分子式:C13H10O

分子量: 182.22

InChI:InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey: RWCCWEUUXYIKHB-UHFFFAOYSA-N

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

Mass

MS-NW-1979          
benzophenone
C13H10O             (Mass of molecular ion:    182)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.1
      50.0       4.0
      51.0      14.4
      74.0       1.2
      75.0       1.0
      76.0       2.8
      77.0      47.4
      78.0       3.1
     105.0     100.0
     106.0       7.3
     152.0       2.1
     153.0       1.4
     154.0       1.7
     181.0       5.6
     182.0      50.1
     183.0       7.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₀ O	0.044 g : 0.5 ml CDCl₃
benzophenone

    Assign.     Shift(ppm)

      A             7.790
      B             7.57
      C             7.46

     Hz     ppm     Int.

    706.13   7.885     39
    703.31   7.853    368
    701.63   7.835    450
    699.94   7.816    213
    699.00   7.805    167
    698.06   7.795    162
    696.25   7.775    430
    695.88   7.770    421
    693.81   7.747    656
    692.44   7.732    139
    688.81   7.692     42
    686.94   7.671     54
    685.25   7.652     66
    684.31   7.641     36
    683.31   7.630     38
    680.19   7.595    150
    679.13   7.583    224
    675.69   7.545    344
    673.75   7.523   1000
    671.75   7.501    351
    670.31   7.485    200
    668.25   7.462    227
    667.06   7.449    303
    666.38   7.441    396
    664.38   7.419     78
    663.81   7.412     75
    662.50   7.398     76
    660.88   7.380    119
    659.69   7.366     59
    657.75   7.345     83

in CDCl3