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627-21-4

2-戊炔(627-21-4)质谱(MS)

产品名称:2-戊炔

CAS:627-21-4

分子式:C5H8

分子量: 68.12

InChI:InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3

InChIKey: NKTDTMONXHODTI-UHFFFAOYSA-N

Smiles:CC#CCC

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    Mass

    MS-NW-4611          
    2-pentyne
    C5H8                (Mass of molecular ion:     68)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.6
          26.0       3.1
          27.0      24.2
          29.0       3.5
          31.0       3.0
          37.0       3.4
          38.0       5.3
          39.0      31.8
          40.0      19.6
          41.0      34.2
          42.0      11.1
          49.0       1.6
          50.0       8.3
          51.0      11.3
          52.0       8.3
          53.0      76.9
          54.0       3.6
          61.0       2.7
          62.0       3.9
          63.0       5.1
          65.0      10.1
          66.0       6.4
          67.0      40.6
          68.0     100.0
          69.0       5.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H8 0.04 ml : 0.5 ml CDCl3
    2-pentyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.126 B 1.770 C 1.111 J(A,B)=2.5HZ.

         Hz     ppm     Int.
    

        199.06   2.223     32
        198.44   2.216     33
        196.31   2.192     74
        195.88   2.188     64
        193.63   2.163     94
        191.13   2.135     75
        189.50   2.116     50
        188.63   2.107    108
        187.00   2.088     62
        186.25   2.080    100
        183.94   2.054     48
        183.38   2.048     37
        181.81   2.031     39
        181.19   2.024     31
        179.44   2.004     40
        178.50   1.994     33
        160.94   1.798    502
        158.50   1.770   1000
        155.88   1.741    369
        106.31   1.188    312
         99.19   1.108    829
         98.63   1.102    418
         92.06   1.028    134
         91.44   1.021    218
         90.81   1.014    116
    

in CDCl3

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liquid film

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