19781-81-8

4-庚炔-2-醇(19781-81-8)红外图谱(IR2)

产品名称:4-庚炔-2-醇

CAS:19781-81-8

分子式:C7H12O

分子量: 112.17

InChI:InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3

InChIKey: CXVIEBMEWKSONY-UHFFFAOYSA-N

Smiles:CC(O)CC#CCC

Mass

MS-NW-2211          
4-heptyn-2-ol
C7H12O              (Mass of molecular ion:    112)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.1
      18.0       1.9
      19.0       3.7
      26.0       1.2
      27.0      13.2
      28.0       1.1
      29.0       4.4
      31.0       1.3
      38.0       2.2
      39.0      18.3
      40.0      16.1
      41.0      29.0
      42.0      10.5
      43.0      23.9
      44.0       1.7
      45.0      82.8
      46.0       1.8
      50.0       2.9
      51.0       5.6
      52.0       3.9
      53.0      41.1
      54.0       2.2
      55.0       3.5
      57.0       1.4
      62.0       1.3
      63.0       2.3
      65.0       4.5
      66.0       5.1
      67.0      79.7
      68.0     100.0
      69.0       8.2
      70.0       3.3
      77.0       3.6
      79.0       3.8
      82.0       1.2
      83.0       1.4
      94.0       1.1
      97.0       8.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
4-heptyn-2-ol

    Assign.     Shift(ppm)

      A             3.90
      B             2.29
      C             2.18
      D             2.207
      E             1.237
      F             1.15

     Hz     ppm     Int.

    358.00   3.998     48
    352.63   3.938     60
    351.81   3.929     83
    346.44   3.869     79
    345.63   3.860     67
    340.25   3.800     51
    213.44   2.384     42
    212.13   2.369     63
    210.69   2.353    123
    209.88   2.344    142
    208.25   2.326    159
    206.88   2.310     69
    205.75   2.298    130
    205.38   2.294    128
    203.44   2.272    146
    202.13   2.257    140
    201.56   2.251    186
    199.44   2.227    152
    197.63   2.207    232
    194.56   2.173     95
    194.00   2.167    102
    192.31   2.148    120
    191.75   2.142    132
    190.75   2.130     43
    189.56   2.117     81
    186.63   2.084     42
    185.06   2.067     49
    184.44   2.060     49
    182.69   2.040     32
    113.94   1.273    950
    110.56   1.235     40
    107.75   1.204   1000
    105.38   1.177     62
    104.06   1.162     33
    103.94   1.161     33
    103.63   1.158     32
    101.38   1.132    870
    100.75   1.125    298
     97.75   1.092     34
     93.69   1.047    170
     93.06   1.040    117

in CDCl3