3-已炔-1-醇(1002-28-4)Raman光譜

產(chǎn)品名稱:3-已炔-1-醇

CAS:1002-28-4

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3

InChIKey: ODEHKVYXWLXRRR-UHFFFAOYSA-N

Smiles:C(O)CC#CCC

Mass

MS-NW-3225          
3-hexyn-1-ol
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       1.3
      26.0       2.1
      27.0      12.7
      28.0       2.2
      29.0       6.8
      31.0      27.6
      37.0       2.0
      38.0       3.8
      39.0      30.0
      40.0      17.3
      41.0      50.3
      42.0      12.0
      43.0       8.0
      44.0       1.8
      50.0       5.2
      51.0       9.0
      52.0       6.8
      53.0      45.3
      54.0       3.5
      55.0       7.8
      56.0       2.2
      57.0       2.6
      61.0       1.3
      62.0       2.4
      63.0       4.0
      65.0      14.0
      66.0       6.3
      67.0      63.1
      68.0     100.0
      69.0       8.7
      70.0       1.8
      77.0       5.5
      79.0      13.6
      80.0       6.0
      81.0       1.2
      83.0       8.6
      97.0       1.1
      98.0      13.2
      99.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
3-hexyn-1-ol

    Assign.     Shift(ppm)

      A             3.666
      B             2.46
      C             2.42
      D             2.18
      E             1.128
     
     J(C,D)=2.3HZ. J(A,B)=0.3HZ.

     Hz     ppm     Int.

    335.25   3.744    228
    328.56   3.669    646
    322.31   3.599    288
    225.00   2.513     87
    222.69   2.487    152
    220.50   2.463    254
    220.13   2.458    259
    218.75   2.443    194
    216.38   2.417    283
    214.06   2.391    174
    212.75   2.376     47
    211.94   2.367     48
    209.94   2.345    106
    207.69   2.320    119
    206.88   2.310     48
    206.00   2.301     39
    201.63   2.252     49
    200.88   2.243    134
    198.56   2.218    134
    196.50   2.195     59
    195.81   2.187     48
    194.31   2.170     60
    193.63   2.163     91
    193.25   2.158     88
    192.06   2.145     87
    191.06   2.134    173
    189.63   2.118     46
    188.69   2.107    104
    186.81   2.086     39
    185.81   2.075     39
    184.38   2.059     55
    183.63   2.051     61
    181.88   2.031     32
    181.31   2.025     31
    108.38   1.211    217
    107.88   1.205    364
    100.75   1.125   1000
    100.13   1.119    477
     93.00   1.039    254
     92.38   1.032    150

in CDCl3