5396-61-2

3-乙基-1-庚炔-3-醇(5396-61-2)Raman光谱

产品名称:3-乙基-1-庚炔-3-醇

CAS:5396-61-2

分子式:C9H16O

分子量: 140.22

InChI:InChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3

InChIKey: TXCLTIFWSNGTIK-UHFFFAOYSA-N

Smiles:C#CC(CC)(O)CCCC

Mass

MS-NW-2188          
3-ethyl-1-heptyn-3-ol
C9H16O              (Mass of molecular ion:    140)

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

      18.0       2.9
      25.0       1.4
      26.0       8.8
      27.0      17.1
      28.0       1.9
      29.0      31.5
      31.0       1.2
      39.0      13.4
      40.0       2.2
      41.0      21.6
      42.0       1.6
      43.0      20.9
      45.0       1.4
      50.0       1.2
      51.0       3.9
      52.0       1.3
      53.0       5.9
      54.0       1.5
      55.0      22.3
      56.0       1.8
      57.0      23.1
      58.0       1.4
      59.0       1.4
      63.0       1.0
      65.0       3.3
      66.0       1.0
      67.0       3.0
      68.0       2.0
      69.0      15.5
      70.0       1.1
      71.0       1.1
      72.0       6.0
      77.0      12.5
      78.0       1.7
      79.0       7.9
      80.0       4.3
      81.0       3.1
      82.0       3.6
      83.0     100.0
      84.0       6.3
      85.0       8.8
      91.0       7.7
      93.0       4.0
      97.0       1.9
      98.0       3.8
     107.0       3.2
     111.0      53.7
     112.0       4.2
     114.0       3.0
     122.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
3-ethyl-1-heptyn-3-ol

    Assign.     Shift(ppm)

      A             2.430
      B             2.04
      C          1.77 to 1.55
      D             1.49
      E             1.36
      F             1.04
      G             0.93
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

     Hz     ppm     Int.

    217.63   2.430   1000
    182.88   2.042    254
    163.38   1.825     47
    161.75   1.807     54
    156.69   1.750     62
    155.06   1.732    208
    154.38   1.724    187
    152.06   1.698     43
    148.44   1.658    138
    147.31   1.645    401
    145.13   1.621    129
    144.06   1.609    149
    142.81   1.595    147
    141.94   1.585    193
    141.00   1.575    226
    140.06   1.564    227
    137.44   1.535    171
    135.94   1.518    139
    133.44   1.490    151
    131.69   1.471    112
    130.81   1.461    100
    128.31   1.433     87
    127.44   1.423     71
    126.13   1.409     81
    124.75   1.393     97
    123.31   1.377     88
    122.00   1.363     71
    120.38   1.345     81
    120.00   1.340     79
    118.63   1.325     69
    118.13   1.320     72
    116.81   1.305     53
    115.56   1.291     34
    114.81   1.282     33
    114.00   1.273     33
    112.56   1.257     40
    112.00   1.251     41
    110.38   1.233     30
    109.81   1.227     30
    100.06   1.118    301
     93.19   1.041    683
     92.44   1.033    327
     89.81   1.003    158
     88.94   0.994    137
     86.19   0.963    173
     85.38   0.954    243
     84.25   0.941    190
     83.31   0.931    412
     80.81   0.903     99
     78.69   0.879     78
     77.44   0.865     64
     76.00   0.849     63
     74.13   0.828     39

in CDCl3