628-73-9

已腈(628-73-9)質(zhì)譜(MS)

產(chǎn)品名稱:已腈

CAS:628-73-9

分子式:C6H11N

分子量: 97.16

InChI:InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3

InChIKey: AILKHAQXUAOOFU-UHFFFAOYSA-N

Smiles:C(#N)CCCCC

Mass

MS-NW-1009          
hexanenitrile
C6H11N              (Mass of molecular ion:     97)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       2.4
      26.0       4.5
      27.0      33.3
      28.0       9.0
      29.0      43.0
      30.0       1.6
      37.0       1.4
      38.0       2.9
      39.0      21.9
      40.0       4.9
      41.0     100.0
      42.0      13.7
      43.0      27.6
      50.0       1.3
      51.0       2.0
      52.0       2.7
      53.0       3.6
      54.0      81.7
      55.0      41.8
      56.0       4.4
      57.0      32.2
      58.0       1.4
      66.0       1.1
      67.0       1.1
      68.0      30.4
      69.0      23.0
      70.0       3.8
      71.0       1.4
      82.0      24.5
      83.0       1.3
      96.0      12.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ N	0.04 ml : 0.5 ml CDCl₃
hexanenitrile

    Assign.     Shift(ppm)

      A             2.33
      B             1.67
      C          1.72 to 1.13
      D             0.94

     Hz     ppm     Int.

    217.13   2.425    223
    216.06   2.413    243
    214.31   2.393    100
    209.44   2.339    999
    203.19   2.269    443
    202.56   2.262    475
    158.19   1.767     86
    156.25   1.745    149
    155.50   1.737    129
    154.94   1.731    136
    153.69   1.717    114
    153.00   1.709    109
    150.06   1.676    275
    149.25   1.667    220
    148.38   1.657    217
    146.94   1.641    172
    145.13   1.621    152
    143.63   1.604    195
    142.69   1.594    225
    142.00   1.586    230
    139.25   1.555    149
    138.63   1.548    149
    136.56   1.525    219
    136.06   1.520    222
    133.88   1.495    333
    131.25   1.466    363
    130.44   1.457    353
    128.94   1.440    361
    128.13   1.431    366
    126.88   1.417    443
    126.19   1.409    332
    124.94   1.396    307
    124.00   1.385    351
    122.50   1.368    376
    118.81   1.327    362
    116.75   1.304    142
    116.19   1.298    149
    114.69   1.281     97
    114.25   1.276     88
    113.69   1.270     92
    112.56   1.257     77
    111.19   1.242     95
    110.75   1.237     96
    110.06   1.229     85
     93.31   1.042     70
     89.19   0.996    368
     88.50   0.989    326
     86.75   0.969    218
     84.75   0.947    262
     82.75   0.924   1000
     79.63   0.890    221
     76.75   0.857    161
     75.38   0.842    135
     73.50   0.821     80

in CDCl3