764-35-2

2-已炔(764-35-2)紅外圖譜(IR1)

產(chǎn)品名稱:2-已炔

CAS:764-35-2

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3

InChIKey: MELUCTCJOARQQG-UHFFFAOYSA-N

Smiles:CC#CCCC

Mass

MS-NW-5113          
2-hexyne
C6H10               (Mass of molecular ion:     82)

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

      26.0       3.6
      27.0      29.4
      28.0       5.0
      29.0       9.3
      37.0       2.3
      38.0       3.6
      39.0      35.8
      40.0       6.2
      41.0      45.5
      42.0      12.2
      43.0       4.1
      49.0       1.1
      50.0       8.4
      51.0      13.2
      52.0      11.8
      53.0      60.6
      54.0      37.8
      55.0       6.7
      56.0       1.3
      57.0       1.3
      62.0       1.5
      63.0       2.7
      65.0       9.4
      66.0       4.0
      67.0     100.0
      68.0       6.0
      74.0       1.3
      77.0       4.1
      78.0       2.0
      79.0       7.2
      80.0       2.6
      81.0      12.7
      82.0      74.1
      83.0       5.1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
2-hexyne

    Assign.     Shift(ppm)

      A             2.097
      B             1.781
      C             1.495
      D             0.967

     Hz     ppm     Int.

    849.37   2.126     40
    846.80   2.119    123
    844.24   2.113    137
    842.16   2.108    104
    839.72   2.102    247
    837.16   2.095    255
    834.59   2.089    112
    832.64   2.084    147
    830.08   2.078    139
    827.51   2.071     51
    714.23   1.788    646
    711.67   1.781   1000
    709.11   1.775    614
    615.97   1.542     47
    608.52   1.523    158
    601.44   1.505    306
    594.12   1.487    308
    586.91   1.469    188
    579.71   1.451     49
    393.43   0.985    461
    389.04   0.974     31
    386.23   0.967    794
    378.66   0.948    390

¹H NMR	89.56 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
2-hexyne

    Assign.     Shift(ppm)

      A             2.083
      B             1.778
      C             1.50
      D             0.97
     
     J(A,B)=2.5HZ

     Hz     ppm     Int.

    197.00   2.200     40
    195.81   2.187     48
    194.38   2.171     53
    193.31   2.159     62
    191.69   2.141     66
    189.06   2.111    138
    187.31   2.092    114
    186.50   2.083    159
    185.13   2.068     95
    184.06   2.056     84
    182.81   2.042    104
    180.50   2.016    104
    179.63   2.006     91
    178.38   1.992     54
    177.13   1.978     52
    161.69   1.806    577
    159.19   1.778   1000
    156.63   1.749    429
    154.19   1.722     58
    152.13   1.699     54
    151.69   1.694     57
    149.06   1.665     36
    146.44   1.636     45
    145.63   1.627     67
    144.25   1.611    116
    138.13   1.543    102
    137.50   1.536    170
    136.44   1.524    118
    134.69   1.504     34
    134.38   1.501     33
    134.25   1.499     33
    133.56   1.492     39
    131.25   1.466    102
    130.69   1.460    131
    129.63   1.448    157
    126.25   1.410     35
    124.56   1.391     61
    123.25   1.377    115
    117.06   1.308     39
    116.44   1.301     40
     93.94   1.049    194
     93.06   1.040    300
     90.06   1.006     42
     89.44   0.999     45
     88.63   0.990     49
     86.50   0.966    658
     85.81   0.959    300
     82.63   0.923     49
     81.88   0.915     42
     81.19   0.907     41
     79.88   0.892    117
     78.81   0.880    173
     77.38   0.865     88

in CDCl3