16387-71-6

4,6-癸二炔(16387-71-6)核磁图(¹³CNMR)

产品名称:4,6-癸二炔

CAS:16387-71-6

分子式:C10H14

分子量: 134.22

InChI:InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3

InChIKey: LIWZSNTUMSGWTF-UHFFFAOYSA-N

Smiles:CCCC#CC#CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7131          
4,6-decadiyne
C10H14              (Mass of molecular ion:    134)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       3.5
      26.0       2.7
      27.0      29.3
      28.0       9.3
      29.0      15.8
      31.0       1.3
      32.0       1.8
      37.0       1.2
      38.0       2.5
      39.0      20.6
      40.0       3.9
      41.0      37.9
      42.0       5.9
      43.0      11.1
      44.0       4.8
      45.0       2.6
      50.0      11.2
      51.0      19.1
      52.0       4.7
      53.0      10.7
      54.0       1.8
      55.0      11.8
      57.0       3.8
      58.0       1.1
      60.0      14.2
      61.0       2.0
      62.0       5.9
      63.0      23.6
      64.0       5.8
      65.0      18.0
      66.0       5.5
      67.0       9.0
      68.0       1.5
      69.0       1.6
      70.0       1.2
      71.0       7.0
      73.0       5.5
      74.0       7.2
      75.0       9.0
      76.0       8.2
      77.0      61.7
      78.0      15.3
      79.0      48.6
      80.0       6.1
      81.0       2.2
      86.0       1.8
      87.0       2.5
      88.0       1.0
      89.0       6.4
      90.0       2.3
      91.0     100.0
      92.0      11.6
      93.0       9.9
      94.0       1.1
      95.0       2.2
      96.0       3.6
      97.0       1.1
      98.0       1.0
     102.0       2.7
     103.0      23.1
     104.0      10.3
     105.0      33.5
     106.0       6.4
     107.0       1.8
     115.0       5.9
     116.0       1.8
     117.0      10.8
     118.0       2.0
     119.0      17.1
     120.0       2.6
     121.0       9.2
     122.0       1.5
     125.0       1.0
     132.0       1.2
     133.0       2.9
     134.0      78.8
     135.0       9.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄	0.05 ml : 0.5 ml CDCl₃
4,6-decadiyne

    Assign.     Shift(ppm)

      A             2.226
      B             1.547
      C             0.988

     Hz     ppm     Int.

    897.58   2.246    266
    896.61   2.244    159
    890.50   2.229    578
    883.54   2.211    290
    882.45   2.209    131
    638.18   1.597     25
    636.84   1.594     49
    633.67   1.586     21
    629.52   1.576    165
    622.44   1.558    318
    615.11   1.540    330
    608.03   1.522    186
    600.83   1.504     50
    402.22   1.007    619
    394.90   0.989   1000
    387.33   0.970    539

in CDCl3