2809-67-8

2-辛炔(2809-67-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-辛炔

CAS:2809-67-8

分子式:C8H14

分子量: 110.2

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

InChIKey: QCQALVMFTWRCFI-UHFFFAOYSA-N

Smiles:CC#CCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3315          
2-octyne
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       2.4
      27.0      31.4
      28.0       3.2
      29.0      41.6
      30.0       1.0
      38.0       2.3
      39.0      34.8
      40.0       7.3
      41.0      69.4
      42.0      12.0
      43.0       5.6
      50.0       4.9
      51.0       9.8
      52.0       6.8
      53.0      41.3
      54.0      57.9
      55.0      45.8
      56.0      11.3
      57.0      10.3
      62.0       1.0
      63.0       2.3
      65.0       7.9
      66.0       5.6
      67.0      49.0
      68.0      49.2
      69.0      13.5
      70.0       2.6
      77.0       5.2
      78.0       1.1
      79.0      12.9
      80.0       4.9
      81.0     100.0
      82.0      16.8
      83.0       1.2
      91.0       1.6
      93.0       2.8
      95.0      74.0
      96.0       5.8
     109.0       2.6
     110.0       3.7

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             2.12
      B             1.775
      C          1.70 to 1.08
      D             0.90

     Hz     ppm     Int.

    197.94   2.211     33
    197.50   2.206     31
    195.44   2.183     51
    195.06   2.178     51
    192.94   2.155     77
    190.50   2.128    123
    188.00   2.100    130
    185.56   2.072     80
    184.13   2.056     69
    181.56   2.028     57
    161.19   1.800    562
    158.75   1.773   1000
    156.13   1.744    386
    145.38   1.624     31
    145.00   1.620     31
    139.44   1.557     54
    138.75   1.550     53
    137.88   1.540     50
    136.63   1.526     52
    134.00   1.497     65
    132.06   1.475    105
    130.13   1.453     83
    127.63   1.426    162
    122.69   1.370    356
    121.25   1.354    249
    118.94   1.329    156
    117.75   1.315    138
    114.44   1.278    105
    112.75   1.259     71
    109.81   1.227     57
    108.19   1.209     48
    106.25   1.187     30
     86.81   0.970    114
     80.44   0.899    401
     77.19   0.862     69
     74.44   0.832     84
     73.13   0.817     55

in CDCl3