78-27-3

1－乙炔基環(huán)己醇(78-27-3)核磁圖(¹HNMR)

產(chǎn)品名稱:1－乙炔基環(huán)己醇

CAS:78-27-3

分子式:C8H12O

分子量: 124.18

InChI:InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2

InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N

Smiles:C1(C#C)(O)CCCCC1

Mass

MS-NW-1410          
1-ethynyl-1-cyclohexanol
C8H12O              (Mass of molecular ion:    124)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       4.4
      26.0       2.8
      27.0      20.0
      28.0       2.6
      29.0       9.4
      31.0       2.1
      38.0       2.7
      39.0      28.8
      40.0      11.3
      41.0      23.1
      42.0       4.3
      43.0       9.9
      50.0       4.1
      51.0      10.5
      52.0       3.4
      53.0      21.7
      54.0       6.5
      55.0      17.9
      56.0       4.2
      57.0       1.7
      62.0       1.1
      63.0       2.6
      64.0       1.5
      65.0       4.6
      66.0       3.8
      67.0      19.4
      68.0      80.8
      69.0      13.0
      70.0       3.4
      77.0       6.2
      78.0       4.4
      79.0       6.6
      80.0       3.6
      81.0     100.0
      82.0      16.4
      83.0       6.2
      91.0       8.3
      93.0       1.8
      94.0       1.1
      95.0      72.9
      96.0      38.6
      97.0       5.1
     105.0       2.2
     106.0       1.6
     109.0      25.7
     110.0       2.0
     123.0      10.6
     124.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₂ O	0.044 g : 0.5 ml CDCl₃
1-ethynyl-1-cyclohexanol

    Assign.     Shift(ppm)

      A             2.479
      B             2.23
      C          2.12 to 1.05

     Hz     ppm     Int.

    222.06   2.480   1000
    199.44   2.227    123
    174.06   1.944     98
    173.75   1.941     97
    173.00   1.932     87
    172.56   1.927     83
    172.06   1.922     81
    157.19   1.756    126
    156.56   1.749    122
    154.81   1.729    139
    154.44   1.725    134
    152.94   1.708    110
    151.50   1.692     89
    146.69   1.638    266
    145.88   1.629    262
    145.56   1.626    262
    144.13   1.610    227
    143.38   1.601    242
    138.13   1.543    104
    137.81   1.539    111
    136.50   1.525    115
    136.19   1.521    109
    135.13   1.509    110
    134.44   1.502    104
    133.63   1.493    111
    132.56   1.481     98
    132.00   1.474     84

in CDCl3