104-51-8

丁苯(104-51-8)Raman光譜

產(chǎn)品名稱:丁苯

CAS:104-51-8

分子式:C10H14

分子量: 134.22

InChI:InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N

Smiles:C1(CCCC)=CC=CC=C1

Mass

MS-NW-0144          
butylbenzene
C10H14              (Mass of molecular ion:    134)

   Source Temperature: 210 °C
   Sample Temperature:  75 °C
   Reservoir, 75 eV

      27.0       5.9
      28.0       1.0
      29.0       2.2
      39.0       7.5
      41.0       4.3
      43.0       2.2
      50.0       2.0
      51.0       6.2
      52.0       1.6
      53.0       1.0
      63.0       3.2
      65.0      12.5
      77.0       6.5
      78.0       6.8
      79.0       3.6
      89.0       2.4
      90.0       1.0
      91.0     100.0
      92.0      59.7
      93.0       4.3
     103.0       2.8
     104.0       2.2
     105.0       9.3
     106.0       1.3
     115.0       1.5
     119.0       1.1
     134.0      26.3
     135.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄	16.0 mg : 0.5 ml CDCl₃
butylbenzene

    Assign.     Shift(ppm)

      A             7.268
      B             7.18
      C             7.17
      D             2.606
      E             1.596
      F             1.355
      G             0.925

     Hz     ppm     Int.

   2913.94   7.292    122
   2912.23   7.287     52
   2909.67   7.281     43
   2906.74   7.274    216
   2905.76   7.271    276
   2903.08   7.265     33
   2901.61   7.261     81
   2899.17   7.255    268
   2897.46   7.250     70
   2872.80   7.189    499
   2870.24   7.182    109
   2865.60   7.171    370
   2859.13   7.155     56
   2857.79   7.151     69
   2856.32   7.148     36
   1049.56   2.627    187
   1041.87   2.607    245
   1034.06   2.588    204
    654.17   1.637     62
    648.07   1.622     83
    646.73   1.619    123
    644.65   1.614     88
    640.99   1.604     94
    639.04   1.599    220
    636.35   1.593    100
    632.57   1.583     96
    631.35   1.580    152
    629.88   1.577     75
    629.15   1.575     73
    623.66   1.561     84
    560.30   1.402     39
    552.86   1.384    125
    545.41   1.365    177
    540.16   1.352     53
    537.72   1.346    181
    530.52   1.328    121
    523.19   1.310     41
    376.83   0.943    470
    374.39   0.937     31
    369.51   0.925   1000
    364.62   0.913     36
    362.18   0.907    404

in CDCl3