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92-91-1

聯(lián)苯乙酮(92-91-1)質(zhì)譜(MS)

產(chǎn)品名稱:聯(lián)苯乙酮

CAS:92-91-1

分子式:C14H12O

分子量: 196.24

InChI:InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3

InChIKey: QCZZSANNLWPGEA-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C

  • 圖譜
    Mass 

    MS-NW-9801          
4-acetylbiphenyl
C14H12O             (Mass of molecular ion:    196)


       Source Temperature: 140 °C
   Sample Temperature:  90 °C
   Direct, 75 eV


          43.0       4.4
      51.0       2.0
      63.0       2.8
      75.0       2.0
      75.5       2.3
      76.0      11.4
      76.5       4.3
      77.0       2.8
      84.0       2.3
      90.5       4.7
     102.0       1.0
     126.0       1.9
     127.0       2.8
     150.0       2.3
     151.0       9.0
     152.0      36.4
     153.0      35.5
     154.0       5.3
     165.0       1.1
     181.0     100.0
     182.0      14.3
     183.0       1.1
     196.0      59.9
     197.0       9.4

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C14 H12 O 0.042 g : 0.5 ml CDCl3
    4-acetylbiphenyl
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.004
      B             7.67
      C             7.57
      D             7.44
      E             7.39
      F             2.611
  

         Hz     ppm     Int.


        722.25   8.065    104
    721.69   8.059     72
    720.31   8.043     36
    715.69   7.992     43
    713.56   7.968    179
    711.88   7.949     33
    691.75   7.724     31
    690.00   7.705    177
    687.81   7.680     57
    684.88   7.648     32
    683.44   7.632     60
    681.94   7.615     91
    681.31   7.608    127
    679.06   7.583     89
    677.38   7.564    114
    672.38   7.508     53
    671.00   7.493     32
    668.88   7.469     86
    668.25   7.462     91
    666.19   7.439     83
    663.06   7.404    111
    661.06   7.382    126
    233.88   2.612   1000

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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