15232-76-5

3-辛炔(15232-76-5)红外图谱(IR1)

产品名称:3-辛炔

CAS:15232-76-5

分子式:C8H14

分子量: 110.2

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

InChIKey: UDEISTCPVNLKRJ-UHFFFAOYSA-N

Smiles:CCC#CCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3534          
3-octyne
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       1.5
      27.0      22.0
      29.0       9.7
      38.0       1.9
      39.0      24.4
      40.0      10.6
      41.0      56.5
      42.0       8.5
      43.0      16.4
      50.0       2.7
      51.0       6.1
      52.0       4.3
      53.0      36.0
      54.0       7.0
      55.0      20.5
      56.0       4.6
      62.0       1.0
      63.0       2.2
      65.0       9.1
      66.0       6.7
      67.0     100.0
      68.0      55.1
      69.0       8.2
      77.0       5.5
      78.0       1.1
      79.0      13.9
      80.0       3.4
      81.0      68.2
      82.0      17.2
      83.0       1.6
      91.0       1.7
      93.0       2.7
      95.0      39.4
      96.0       3.2
     109.0       2.0
     110.0      11.1
     111.0       1.2

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             2.15
      B             2.12
      C             1.47
      D             1.38
      E             1.11
      F             0.91

     Hz     ppm     Int.

    204.75   2.287     44
    203.81   2.276     48
    202.38   2.260     54
    199.31   2.226     69
    196.50   2.195    222
    195.63   2.185    173
    195.50   2.183    173
    194.88   2.176    189
    193.56   2.162    139
    190.00   2.122    285
    189.13   2.112    286
    186.88   2.087    120
    185.44   2.071     93
    184.63   2.062    104
    183.38   2.048     83
    182.38   2.037     91
    181.50   2.027     87
    179.38   2.003     41
    138.88   1.551     38
    137.00   1.530     89
    136.25   1.522     76
    133.38   1.490    131
    132.56   1.481    140
    129.94   1.451    355
    126.75   1.416    216
    126.06   1.408    194
    122.75   1.371    221
    120.19   1.343     83
    118.19   1.320     40
    117.00   1.307     54
    115.25   1.287     43
    114.69   1.281     42
    113.75   1.271     43
    106.56   1.190    280
    104.25   1.165     74
    102.63   1.146     50
    101.69   1.136     60
     99.44   1.111   1000
     92.25   1.031    188
     91.69   1.024    213
     88.44   0.988    128
     87.56   0.978    178
     86.94   0.971    168
     84.50   0.944    102
     81.06   0.906    461
     78.50   0.877    115
     77.56   0.867    121
     75.69   0.846     85
     74.94   0.837     88
     73.63   0.823     81
     71.88   0.803     56

in CDCl3