2-丁基苯并呋喃(4265-27-4)質譜(MS)

產品名稱:2-丁基苯并呋喃

CAS:4265-27-4

分子式:C12H14O

分子量: 174.24

InChI:InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3

InChIKey: OVJKFJDEVKABNF-UHFFFAOYSA-N

Smiles:O1C2=CC=CC=C2C=C1CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS2015-05284CW      
2-butylbenzofuran
C12H14O             (Mass of molecular ion:    174)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      39.0       1.1
      51.0       1.6
      63.0       1.4
      77.0       6.8
      89.0       1.2
      91.0       1.6
     102.0       2.0
     103.0       3.1
     115.0       3.4
     118.0       1.0
     131.0     100.0
     132.0      29.3
     133.0       2.9
     144.0       1.7
     145.0       3.0
     159.0       1.0
     174.0      28.4
     175.0       3.7

400 MHz in CDCl3

in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
2-butylbenzofuran

    Assign.     Shift(ppm)

      A             7.442
      B             7.389
      C     *1      7.16
      D     *1      7.14
      E             6.321
      F             2.721
      G             1.693
      J             1.387
      K             0.927

     Hz     ppm     Int.

   2979.37   7.455    112
   2978.76   7.454    118
   2977.66   7.451    110
   2975.95   7.447     95
   2972.53   7.438    173
   2970.34   7.433    139
   2969.85   7.432    138
   2958.74   7.404     75
   2958.01   7.402    110
   2957.03   7.400     90
   2956.42   7.398    109
   2955.57   7.396    105
   2952.15   7.387     69
   2951.17   7.385     80
   2950.32   7.383     91
   2949.46   7.381    154
   2948.73   7.379    142
   2947.88   7.377     92
   2872.68   7.188     50
   2870.85   7.184     75
   2865.36   7.170    189
   2863.53   7.166    183
   2861.08   7.159    221
   2858.64   7.153    408
   2855.83   7.146    178
   2853.88   7.141    218
   2852.29   7.137    208
   2846.56   7.123     74
   2845.09   7.119     50
   2527.22   6.324    136
   2526.25   6.322    345
   2525.39   6.320    371
   2524.41   6.317    161
   1095.34   2.741    166
   1094.60   2.739    174
   1087.40   2.721    290
   1080.20   2.703    185
   1079.35   2.701    192
    692.02   1.732     74
    685.79   1.716     68
    684.57   1.713    164
    682.62   1.709     72
    677.00   1.694    220
    674.80   1.689     80
    672.12   1.682     32
    669.31   1.675    167
    667.36   1.670     69
    661.74   1.656     88
    572.63   1.433     43
    565.19   1.415    134
    557.62   1.396    199
    550.05   1.377    208
    544.43   1.363     38
    542.72   1.358    133
    535.40   1.340     42
    381.47   0.955     38
    377.93   0.946    489
    370.61   0.928   1000
    363.28   0.909    456
    359.86   0.901     32