3-庚炔-1-醇(14916-79-1)紅外圖譜(IR1)

產品名稱:3-庚炔-1-醇

CAS:14916-79-1

分子式:C7H12O

分子量: 112.17

InChI:InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3

InChIKey: PSWHODJVUOXHKA-UHFFFAOYSA-N

Smiles:C(O)CC#CCCC

¹HNMR

IR1

IR2

Mass

MS-NW-2218          
3-heptyn-1-ol
C7H12O              (Mass of molecular ion:    112)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       3.1
      26.0       1.6
      27.0      15.6
      28.0       1.5
      29.0       8.8
      31.0      18.9
      38.0       1.8
      39.0      18.2
      40.0       5.2
      41.0      30.2
      42.0       6.0
      43.0       5.4
      44.0       1.1
      50.0       3.7
      51.0       7.5
      52.0       8.0
      53.0      32.1
      54.0      28.3
      55.0      13.9
      56.0       2.2
      57.0       2.1
      62.0       1.0
      63.0       2.0
      65.0       9.4
      66.0       6.3
      67.0     100.0
      68.0       6.7
      69.0       4.6
      70.0       2.5
      71.0       1.1
      77.0       9.0
      78.0       1.3
      79.0      17.6
      80.0       1.8
      81.0      11.5
      82.0      15.6
      83.0       4.7
      84.0       4.7
      91.0       1.7
      93.0       1.7
      94.0       1.9
      97.0       3.5
     112.0       8.6

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             3.674
      B             2.43
      C             2.12
      D             2.04
      E             1.51
      F             0.98

     Hz     ppm     Int.

    335.81   3.750    290
    329.44   3.679    655
    323.31   3.610    377
    226.38   2.528     96
    224.06   2.502    175
    221.88   2.478    100
    221.50   2.474     97
    220.19   2.459    139
    217.81   2.433    343
    215.56   2.407    228
    214.25   2.393     63
    213.63   2.386     58
    211.56   2.363    125
    209.25   2.337    114
    201.94   2.255     60
    201.25   2.248     68
    199.81   2.232     74
    198.88   2.221     78
    197.63   2.207     44
    196.13   2.190     49
    195.06   2.178    118
    194.25   2.169    166
    192.75   2.153    154
    192.00   2.144    263
    190.81   2.131     72
    189.56   2.117    116
    188.19   2.102     93
    187.38   2.093     97
    185.81   2.075    156
    185.13   2.068    181
    182.81   2.042    433
    147.50   1.647     52
    146.19   1.633    128
    141.81   1.584     31
    140.06   1.564    114
    139.44   1.557    211
    138.38   1.546    137
    133.19   1.488    113
    132.63   1.481    157
    132.19   1.476    147
    131.56   1.469    197
    126.44   1.412     64
    125.19   1.398    139
    118.94   1.329     40
    118.31   1.322     41
     94.75   1.058    234
     93.88   1.049    406
     93.06   1.040    254
     87.19   0.974   1000
     86.50   0.966    362
     80.63   0.901    131
     79.50   0.888    213
     78.19   0.874    103

CCl4 solution