693-02-7

1-己炔(693-02-7)紅外圖譜(IR2)

產(chǎn)品名稱:1-己炔

CAS:693-02-7

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3

InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N

Smiles:C#CCCCC

Mass

MS-NW-1217          
1-hexyne
C6H10               (Mass of molecular ion:     82)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       2.3
      26.0       3.3
      27.0      44.1
      28.0       4.8
      29.0       5.8
      37.0       2.4
      38.0       5.7
      39.0      36.2
      40.0      24.6
      41.0      64.3
      42.0      15.9
      43.0      48.9
      44.0       1.7
      50.0       5.8
      51.0       8.0
      52.0       4.2
      53.0      15.4
      54.0      27.0
      55.0       3.4
      56.0       4.5
      63.0       1.5
      65.0       4.5
      66.0       1.7
      67.0     100.0
      68.0       6.2
      77.0       1.8
      79.0       2.8
      81.0      10.9
      97.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀	0.02 ml : 0.5 ml CDCl₃
1-hexyne

    Assign.     Shift(ppm)

      A             2.18
      B             1.931
      C             1.52
      D             1.41
      E             0.92

     Hz     ppm     Int.

    204.25   2.281     81
    202.75   2.264    114
    201.56   2.251    116
    200.31   2.237    126
    199.50   2.228     99
    197.56   2.206    399
    195.00   2.178    436
    193.56   2.162    145
    192.63   2.151    118
    191.44   2.138    167
    190.56   2.128    183
    188.63   2.107    205
    175.31   1.958    650
    172.81   1.930    829
    170.06   1.899    426
    143.94   1.608     88
    143.19   1.599     79
    142.50   1.592     88
    140.81   1.573    210
    137.56   1.536    298
    135.38   1.512    253
    133.69   1.493    573
    131.06   1.464    343
    130.06   1.453    464
    129.25   1.444    276
    128.06   1.430    255
    127.56   1.425    260
    127.44   1.423    260
    126.50   1.413    376
    124.50   1.391    194
    122.56   1.369    152
    119.50   1.335    102
    116.38   1.300     91
     89.56   1.000    213
     88.75   0.991    375
     88.13   0.985    301
     86.56   0.967    171
     85.50   0.955    208
     85.38   0.954    208
     83.81   0.936    198
     82.19   0.918   1000
     79.25   0.885    271
     77.50   0.866    158
     75.94   0.848    153
     74.75   0.835    166
     73.13   0.817    104

in CDCl3