539-32-2

3-丁基吡啶(539-32-2)核磁图(¹³CNMR)

产品名称:3-丁基吡啶

CAS:539-32-2

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

InChIKey: QSNMFWFDOFQASV-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1CCCC

Mass

MS-NW-7375          
3-butylpyridine
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       5.2
      29.0       1.4
      38.0       1.5
      39.0      13.5
      40.0       1.4
      41.0       6.2
      43.0      10.1
      50.0       2.6
      51.0       6.4
      52.0       3.7
      53.0       2.4
      63.0       3.4
      64.0       1.8
      65.0      20.8
      66.0       4.6
      67.0       1.8
      77.0       5.0
      78.0       4.8
      79.0       4.8
      80.0       2.4
      91.0       1.7
      92.0     100.0
      93.0      88.7
      94.0       6.4
     104.0       1.9
     105.0       1.5
     106.0      13.7
     107.0       3.3
     117.0       1.4
     118.0       1.2
     120.0       2.7
     134.0       2.2
     135.0      73.2
     136.0       7.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
3-butylpyridine

    Assign.     Shift(ppm)

      A             8.45
      B             8.42
      C             7.46
      D             7.18
      E             2.590
      F             1.58
      G             1.34
      J             0.933

     Hz     ppm     Int.

    757.25   8.456    585
    755.44   8.436    576
    752.56   8.403    316
    750.81   8.384    277
    748.19   8.355     47
    675.25   7.540    116
    674.56   7.532     96
    673.50   7.521    165
    671.19   7.495    112
    667.44   7.453    215
    666.75   7.445    177
    665.63   7.433    301
    665.19   7.428    279
    663.94   7.414    160
    663.38   7.408    185
    648.56   7.242    270
    647.75   7.233    237
    646.19   7.216     57
    643.81   7.189    253
    643.00   7.180    234
    640.81   7.156    174
    639.94   7.146    151
    636.06   7.103    150
    635.31   7.094    136
    240.13   2.682    219
    233.06   2.603    440
    228.56   2.553    101
    225.31   2.516    368
    159.13   1.777     50
    157.31   1.757     59
    151.38   1.691    163
    148.81   1.662    173
    145.19   1.622    232
    145.06   1.620    232
    144.56   1.615    221
    143.69   1.605    214
    142.63   1.593    208
    140.75   1.572    212
    138.00   1.541    248
    136.75   1.527    287
    135.38   1.512    232
    134.44   1.502    217
    132.69   1.482    196
    130.81   1.461    331
    129.44   1.446    234
    126.31   1.411    188
    124.81   1.394    237
    123.13   1.375    222
    119.56   1.335    176
    118.94   1.329    173
    118.19   1.320    169
    116.63   1.303    233
    114.75   1.282    127
    113.31   1.266    110
    110.19   1.231    184
    106.69   1.192     45
    105.88   1.183     47
    103.75   1.159     99
     89.38   0.998    556
     82.94   0.927   1000
     77.06   0.861    216
     75.56   0.844    244
     73.69   0.823    119

in CDCl3