1119-65-9

2-戊炔(1119-65-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-戊炔

CAS:1119-65-9

分子式:C7H12

分子量: 96.17

InChI:InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3

InChIKey: AMSFEMSYKQQCHL-UHFFFAOYSA-N

Smiles:CC#CCCCC

Mass

MS-NW-5378          
2-heptyne
C7H12               (Mass of molecular ion:     96)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.5
      18.0       1.9
      26.0       3.0
      27.0      39.9
      28.0       6.7
      29.0       8.6
      37.0       1.6
      38.0       3.7
      39.0      50.8
      40.0       7.6
      41.0      67.6
      42.0       7.2
      43.0      25.6
      50.0       6.3
      51.0      11.5
      52.0       8.6
      53.0      46.9
      54.0      81.8
      55.0      22.3
      56.0       8.2
      57.0       1.1
      62.0       1.8
      63.0       3.2
      65.0       9.9
      66.0       5.5
      67.0      43.3
      68.0      42.5
      69.0       3.6
      77.0       5.3
      78.0       1.0
      79.0      13.8
      80.0       2.9
      81.0     100.0
      82.0       7.6
      91.0       1.2
      95.0       5.3
      96.0      18.0
      97.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂	0.04 ml : 0.5 ml CDCl₃
2-heptyne

    Assign.     Shift(ppm)

      A             2.11
      B             1.77
      C             1.47
      D             1.37
      E             0.91

     Hz     ppm     Int.

    197.88   2.210     31
    196.38   2.193     43
    195.44   2.183     50
    193.88   2.165     74
    191.44   2.138    131
    188.94   2.110    138
    187.38   2.093     91
    186.63   2.084     95
    185.13   2.068     87
    182.63   2.040     68
    180.88   2.020     34
    180.19   2.012     39
    161.19   1.800    580
    158.75   1.773   1000
    156.13   1.744    441
    143.50   1.603     32
    138.56   1.548     42
    136.69   1.527    101
    135.81   1.517     78
    133.06   1.486    131
    132.06   1.475    133
    129.50   1.446    330
    126.25   1.410    215
    122.38   1.367    236
    119.88   1.339     82
    117.75   1.315     42
    116.69   1.303     53
    114.19   1.276     37
    113.63   1.269     38
     87.25   0.975    151
     86.69   0.968    150
     84.25   0.941     93
     80.88   0.904    386
     78.25   0.874    101
     77.31   0.864    104
     75.50   0.844     78
     74.75   0.835     77
     73.38   0.820     68
     71.75   0.802     45

in CDCl3