戊基苯(538-68-1)質(zhì)譜(MS)

產(chǎn)品名稱:戊基苯

CAS:538-68-1

分子式:C11H16

分子量: 148.24

InChI:InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N

Smiles:C1(CCCCC)=CC=CC=C1

Mass

MS-NW-4180          
pentylbenzene
C11H16              (Mass of molecular ion:    148)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       4.4
      29.0       6.2
      39.0       5.2
      41.0       8.3
      42.0       1.0
      50.0       1.1
      51.0       3.5
      55.0       1.1
      57.0       3.8
      63.0       1.7
      65.0       8.7
      77.0       4.5
      78.0       6.1
      79.0       3.0
      89.0       1.3
      91.0     100.0
      92.0      73.5
      93.0       5.9
     103.0       1.9
     104.0       2.0
     105.0      11.3
     106.0       2.1
     115.0       1.3
     117.0       1.7
     119.0       2.1
     133.0       1.6
     148.0      27.3
     149.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆	0.04 ml : 0.5 ml CDCl₃
pentylbenzene

    Assign.     Shift(ppm)

      A          7.41 to 6.97
      B             2.58
      C             1.62
      D          1.48 to 1.12
      E             0.90

     Hz     ppm     Int.

    657.75   7.345     50
    654.31   7.306     35
    652.38   7.285     57
    649.75   7.255    170
    647.56   7.231    144
    645.31   7.206    960
    643.94   7.191   1000
    641.44   7.163    193
    640.19   7.149    152
    639.63   7.142    131
    637.81   7.122    106
    637.13   7.115     90
    636.44   7.107    105
    239.69   2.677    120
    232.88   2.601    244
    224.94   2.512    224
    154.25   1.723     35
    152.63   1.705     65
    152.13   1.699     62
    150.88   1.685     73
    148.19   1.655     50
    146.19   1.633     92
    144.88   1.618     95
    143.25   1.600     98
    141.81   1.584     67
    141.44   1.580     67
    139.69   1.560     74
    137.94   1.541     85
    136.81   1.528     82
    136.00   1.519     88
    134.25   1.499     58
    132.81   1.483     44
    131.06   1.464     82
    130.00   1.452     82
    128.38   1.434     69
    125.94   1.407    102
    123.44   1.379    297
    120.75   1.349    221
    119.38   1.333    211
    118.69   1.326    205
    116.50   1.301    268
    113.69   1.270    146
    113.06   1.263    147
    109.44   1.222    122
    107.31   1.199     38
    103.06   1.151     31
     86.75   0.969    102
     85.81   0.959    156
     85.00   0.950    181
     79.50   0.888    539
     73.50   0.821    125
     72.06   0.805     84
     69.69   0.779     37

in CDCl3