96-15-1

2-甲基正丁胺(96-15-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基正丁胺

CAS:96-15-1

分子式:C5H13N

分子量: 87.16

InChI:InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3

InChIKey: VJROPLWGFCORRM-UHFFFAOYSA-N

Smiles:C(N)C(C)CC

Mass

MS-NW-3318          
2-methylbutylamine
C5H13N              (Mass of molecular ion:     87)

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

      18.0       1.5
      27.0       2.7
      28.0       3.2
      29.0       3.4
      30.0     100.0
      31.0       2.3
      32.0       1.7
      39.0       2.1
      41.0       5.0
      42.0       1.4
      43.0       1.2
      44.0       1.8
      55.0       2.0
      56.0       1.6
      58.0       1.7
      70.0       1.3
      87.0       3.8

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₃ N	0.04 ml : 0.5 ml CDCl₃
2-methylbutylamine

    Assign.     Shift(ppm)

      A     *1      2.59
      B     *1      2.51
      C          2.00 to 1.09
      D             1.18
      E             0.92
      F             0.90

     Hz     ppm     Int.

    245.88   2.746     36
    240.81   2.689     60
    233.44   2.607    207
    228.19   2.548    316
    222.88   2.489    190
    216.25   2.415     38
    210.44   2.350     41
    210.31   2.349     41
    135.88   1.518     61
    133.25   1.488     47
    132.25   1.477     43
    129.19   1.443    106
    128.81   1.439    106
    127.38   1.423     96
    126.19   1.409     91
    122.63   1.370    144
    119.69   1.337    161
    115.31   1.288    176
    112.50   1.257    105
    110.88   1.239     93
    105.19   1.175    701
    100.69   1.125    104
     98.94   1.105    112
     96.56   1.079     69
     93.69   1.047    148
     92.31   1.031     62
     89.19   0.996    141
     86.38   0.965    337
     85.25   0.952    375
     82.75   0.924   1000
     80.69   0.901    485
     79.44   0.888    365
     76.81   0.858    736
     74.19   0.829    188
     72.81   0.813    156
     69.56   0.777     80

¹H NMR	399.65 MHz
C₅ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
2-methylbutylamine

    Assign.     Shift(ppm)

      A     *1      2.614
      B     *1      2.480
      C     *2      1.41
      D     *2      1.35
      E             1.19
      F             1.14
      G             0.896
      J             0.891
     
     J(A,B)=12.6HZ. J(A,F)=5.6HZ. J(B,F)=6.7HZ.

     Hz     ppm     Int.

   1054.57   2.639    126
   1048.95   2.625    138
   1041.99   2.608    177
   1036.38   2.594    188
    999.27   2.501    172
    992.55   2.484    198
    986.69   2.469    107
    979.98   2.453    123
    579.83   1.451     30
    577.64   1.446     53
    572.27   1.432     84
    570.19   1.427     57
    566.77   1.419     46
    564.82   1.414    106
    562.87   1.409     39
    559.33   1.400    101
    557.37   1.395     73
    553.10   1.384    116
    547.73   1.371    105
    546.26   1.367    105
    540.89   1.354     93
    539.55   1.351     69
    537.84   1.346     31
    535.16   1.340     51
    534.18   1.337     56
    532.96   1.334     35
    531.37   1.330     52
    474.00   1.187    339
    465.45   1.165     82
    457.76   1.146     87
    452.27   1.132     81
    444.82   1.114     90
    376.59   0.943     35
    374.39   0.937     42
    369.87   0.926     81
    365.23   0.914    465
    358.76   0.898   1000
    358.03   0.896    861
    352.05   0.881    735
    350.46   0.877    415

in CDCl3