135-98-8

仲丁基苯(135-98-8)质谱(MS)

产品名称:仲丁基苯

CAS:135-98-8

分子式:C10H14

分子量: 134.22

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

InChIKey: ZJMWRROPUADPEA-UHFFFAOYSA-N

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

Mass

MS-NW-4626          
sec-butylbenzene
C10H14              (Mass of molecular ion:    134)

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

      27.0       3.4
      29.0       1.7
      39.0       3.3
      41.0       2.7
      50.0       1.5
      51.0       4.6
      52.0       1.1
      53.0       1.0
      63.0       1.4
      65.0       2.2
      77.0       9.7
      78.0       3.3
      79.0       7.8
      91.0      13.9
      92.0       1.2
     103.0       5.3
     104.0       2.8
     105.0     100.0
     106.0       9.2
     115.0       1.5
     117.0       1.6
     119.0       2.2
     134.0      18.0
     135.0       2.0
     161.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄	0.022 g : 0.5 ml CDCl₃
sec-butylbenzene

    Assign.     Shift(ppm)

      A          7.43 to 7.01
      B             2.58
      C             1.58
      D             1.237
      E             0.82

     Hz     ppm     Int.

    659.75   7.367     54
    657.25   7.339     34
    656.44   7.330     30
    654.38   7.307     51
    652.19   7.283    141
    649.31   7.251    117
    647.00   7.225    660
    645.38   7.207    482
    644.69   7.199    607
    642.63   7.176    149
    640.94   7.157    110
    638.88   7.134     95
    638.38   7.128     78
    637.56   7.119     82
    636.25   7.105     33
    635.56   7.097     31
    242.56   2.709     38
    235.56   2.631     78
    228.63   2.553     87
    221.50   2.474     52
    158.19   1.767     34
    157.19   1.756     35
    151.38   1.691     59
    149.88   1.674    146
    145.69   1.627     43
    144.56   1.615     40
    143.31   1.601    142
    142.50   1.592    230
    136.25   1.522     93
    135.50   1.513    233
    129.06   1.442     56
    128.25   1.433     59
    113.88   1.272   1000
    111.81   1.249     54
    107.00   1.195    834
    104.94   1.172     45
     80.44   0.899    298
     79.88   0.892    205
     73.44   0.821    528
     72.88   0.814    366
     65.88   0.736    182
     65.00   0.726    111

in CDCl3