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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>3162-29-6更多圖譜> 3,4-亞甲二氧苯乙酮(3162-29-6)質譜(MS)

3162-29-6

3,4-亞甲二氧苯乙酮(3162-29-6)質譜(MS)

產(chǎn)品名稱:3,4-亞甲二氧苯乙酮

CAS:3162-29-6

分子式:C9H8O3

分子量: 164.16

InChI:InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3

InChIKey: BMHMKWXYXFBWMI-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C2OCOC2=C1)C

  • 圖譜
    Mass 

    MS-NW-8719          
3',4'-(methylenedioxy)acetophenone
C9H8O3              (Mass of molecular ion:    164)


       Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          15.0       1.2
      38.0       1.2
      39.0       3.0
      43.0       9.7
      50.0       2.2
      51.0       3.6
      53.0       2.1
      61.0       1.4
      62.0       4.3
      63.0      10.5
      64.0       1.6
      65.0      11.9
      74.0       4.5
      77.0       1.9
      91.0       6.5
     119.0       1.6
     120.0       1.0
     121.0      27.4
     122.0       2.3
     149.0     100.0
     150.0       8.8
     163.0       1.1
     164.0      62.2
     165.0       6.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C9 H8 O3 0.040 g : 0.5 ml CDCl3
    3',4'-(methylenedioxy)acetophenone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.539
      B             7.422
      C             6.841
      D             6.034
      E             2.531
  

         Hz     ppm     Int.


        680.81   7.602     66
    679.06   7.583     79
    672.69   7.512     78
    671.00   7.493    110
    665.69   7.433    136
    665.31   7.429    142
    663.94   7.414    105
    663.56   7.410     91
    616.50   6.884    122
    616.06   6.879    116
    608.38   6.793     97
    607.94   6.789     91
    540.50   6.036    714
    226.75   2.532   1000
    223.88   2.500     32

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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