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1192-62-7

2-乙酰基呋喃(1192-62-7)质谱(MS)

产品名称:2-乙酰基呋喃

CAS:1192-62-7

分子式:C6H6O2

分子量: 110.11

InChI:InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CO1)C

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    Mass

    MS-NW-1322          
    2-acetylfuran
    C6H6O2              (Mass of molecular ion:    110)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0       5.3
          26.0       1.4
          27.0       3.6
          28.0       2.1
          29.0       2.3
          37.0       2.8
          38.0       6.1
          39.0      23.6
          40.0       3.6
          42.0       2.9
          43.0      16.9
          50.0       1.6
          51.0       3.4
          53.0       1.8
          67.0       5.0
          68.0       3.7
          95.0     100.0
          96.0       5.3
         110.0      43.6
         111.0       3.2
    

90 MHz in CDCl3

parameter in acetone-d6

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    1H NMR 89.56 MHz
    C6 H6 O2 0.04 ml : 0.5 ml CDCl3
    2-acetylfuran
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.595 B 7.190 C 6.544 D 2.479

         Hz     ppm     Int.
    

        681.38   7.609    113
        680.63   7.600    117
        679.69   7.590    112
        678.88   7.581     94
        646.13   7.215    102
        645.38   7.207     86
        642.56   7.175    114
        641.81   7.167     93
        588.56   6.572     96
        586.81   6.553     95
        585.00   6.532     87
        583.25   6.513     78
        222.06   2.480   1000
    

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    1H NMR 300 MHz
    C6 H6 O2 in acetone-d6
    2-acetylfuran
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.81 D(B) 6.65 D(C) 7.32 J(A,B) 1.74 J(A,C) 0.76 J(B,C) 3.58 D(D) 2.41 FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. 28 B, 175 (1974)

         Hz     ppm     Int.
    

       2344.24   7.814    106
       2343.53   7.812    115
       2342.53   7.808    114
       2341.78   7.806    106
       2198.16   7.327    101
       2197.46   7.325    101
       2194.61   7.315    105
       2193.91   7.313    104
       1997.63   6.659     91
       1995.97   6.653     92
       1994.12   6.647     90
       1992.36   6.641     87
        722.98   2.410   1000
    

in CDCl3

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CCl4 solution

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liquid film

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