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2809-67-8

2-辛炔(2809-67-8)核磁图(1HNMR)

产品名称:2-辛炔

CAS:2809-67-8

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3

InChIKey: QCQALVMFTWRCFI-UHFFFAOYSA-N

Smiles:CC#CCCCCC

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    Mass

    MS-NW-3315          
    2-octyne
    C8H14               (Mass of molecular ion:    110)
    

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

          15.0       1.1
          26.0       2.4
          27.0      31.4
          28.0       3.2
          29.0      41.6
          30.0       1.0
          38.0       2.3
          39.0      34.8
          40.0       7.3
          41.0      69.4
          42.0      12.0
          43.0       5.6
          50.0       4.9
          51.0       9.8
          52.0       6.8
          53.0      41.3
          54.0      57.9
          55.0      45.8
          56.0      11.3
          57.0      10.3
          62.0       1.0
          63.0       2.3
          65.0       7.9
          66.0       5.6
          67.0      49.0
          68.0      49.2
          69.0      13.5
          70.0       2.6
          77.0       5.2
          78.0       1.1
          79.0      12.9
          80.0       4.9
          81.0     100.0
          82.0      16.8
          83.0       1.2
          91.0       1.6
          93.0       2.8
          95.0      74.0
          96.0       5.8
         109.0       2.6
         110.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 0.04 ml : 0.5 ml CDCl3
    2-octyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.12 B 1.775 C 1.70 to 1.08 D 0.90

         Hz     ppm     Int.
    

        197.94   2.211     33
        197.50   2.206     31
        195.44   2.183     51
        195.06   2.178     51
        192.94   2.155     77
        190.50   2.128    123
        188.00   2.100    130
        185.56   2.072     80
        184.13   2.056     69
        181.56   2.028     57
        161.19   1.800    562
        158.75   1.773   1000
        156.13   1.744    386
        145.38   1.624     31
        145.00   1.620     31
        139.44   1.557     54
        138.75   1.550     53
        137.88   1.540     50
        136.63   1.526     52
        134.00   1.497     65
        132.06   1.475    105
        130.13   1.453     83
        127.63   1.426    162
        122.69   1.370    356
        121.25   1.354    249
        118.94   1.329    156
        117.75   1.315    138
        114.44   1.278    105
        112.75   1.259     71
        109.81   1.227     57
        108.19   1.209     48
        106.25   1.187     30
         86.81   0.970    114
         80.44   0.899    401
         77.19   0.862     69
         74.44   0.832     84
         73.13   0.817     55
    

in CDCl3

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liquid film

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