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Back ChemicalBook Home>CAS DataBase List>539-32-2More Spectrum> 3-BUTYLPYRIDINE(539-32-2) IR1

3-BUTYLPYRIDINE(539-32-2) IR1

Product Name3-BUTYLPYRIDINE

CAS539-32-2

Molecular FormulaC9H13N

Molecular Weight135.21

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

InChIKey QSNMFWFDOFQASV-UHFFFAOYSA-N

SmilesC1=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
    ChemicalStructure
        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



liquid film





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