1942-45-6

4-辛炔(1942-45-6)红外图谱(IR2)

产品名称:4-辛炔

CAS:1942-45-6

分子式:C8H14

分子量: 110.2

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

InChIKey: GZTNBKQTTZSQNS-UHFFFAOYSA-N

Smiles:CCCC#CCCC

Mass

MS-NW-4272          
4-octyne
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       2.0
      27.0      19.8
      29.0      13.5
      38.0       1.9
      39.0      20.9
      40.0       5.4
      41.0      47.3
      42.0       5.9
      43.0       4.5
      50.0       3.8
      51.0       8.6
      52.0       7.9
      53.0      37.9
      54.0      14.3
      55.0      26.0
      56.0       3.1
      62.0       1.0
      63.0       2.3
      65.0       8.7
      66.0       8.0
      67.0     100.0
      68.0      26.6
      69.0       4.6
      77.0       8.8
      78.0       1.7
      79.0      24.0
      80.0       3.9
      81.0      56.8
      82.0      14.6
      83.0       1.0
      91.0       1.7
      93.0       2.9
      95.0      19.5
      96.0       1.8
      97.0       1.2
     110.0      37.7
     111.0       3.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄	0.04 ml : 0.5 ml CDCl₃
4-octyne

    Assign.     Shift(ppm)

      A             2.12
      B             1.50
      C             0.98

     Hz     ppm     Int.

    197.38   2.204     92
    196.00   2.189     73
    191.00   2.133    247
    190.56   2.128    360
    186.38   2.082     77
    185.50   2.072     78
    184.31   2.058    140
    183.75   2.052    174
    181.44   2.026     61
    145.06   1.620     89
    139.00   1.553    114
    138.31   1.545    152
    137.31   1.534     88
    133.50   1.491     63
    132.75   1.483     68
    132.06   1.475     87
    131.50   1.469    142
    131.13   1.465    138
    130.38   1.456    103
    125.38   1.400     74
    124.06   1.386    104
     94.56   1.056    219
     93.69   1.047    381
     92.94   1.038    250
     87.06   0.973   1000
     86.31   0.964    354
     80.44   0.899    127
     79.38   0.887    209
     78.00   0.871    106

in CDCl3