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

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

¹H NMR	89.56 MHz
C₆ H₆ O₂	0.04 ml : 0.5 ml CDCl₃
2-acetylfuran

    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

¹H NMR	300 MHz
C₆ H₆ O₂	in acetone-d₆
2-acetylfuran

    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