2806-97-5

2-丁炔乙缩醛(2806-97-5)质谱(MS)

产品名称:2-丁炔乙缩醛

CAS:2806-97-5

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3

InChIKey: FKKVKKSEVMQYER-UHFFFAOYSA-N

Smiles:C(OCC)(OCC)C#CC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7301          
2-butyn-1-al diethyl acetal
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       1.0
      27.0       6.1
      28.0       1.3
      29.0       9.4
      31.0       3.2
      38.0       1.4
      39.0      10.1
      40.0       1.7
      41.0      13.2
      43.0       5.3
      45.0       3.5
      47.0       1.4
      50.0       1.3
      51.0       2.2
      52.0       3.5
      53.0       1.0
      67.0       5.2
      68.0       2.6
      69.0      82.6
      70.0       4.3
      85.0       5.4
      97.0     100.0
      98.0       7.2
      99.0       1.0
     113.0       1.7
     141.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
2-butyn-1-al diethyl acetal

    Assign.     Shift(ppm)

      A             5.226
      B     *1      3.71
      C     *1      3.58
      D             1.877
      E             1.229
     
     J(B,C)=-9.6HZ
     J(A,D)=1.8HZ

     Hz     ppm     Int.

    470.69   5.256     40
    468.94   5.237    107
    467.19   5.217    108
    465.31   5.196     41
    344.25   3.844     51
    342.00   3.819     61
    337.06   3.764     62
    334.81   3.739    164
    333.44   3.724     72
    330.00   3.685     40
    327.63   3.659    182
    326.38   3.645    174
    324.00   3.618     37
    320.50   3.579     91
    319.38   3.567    177
    316.94   3.539     64
    312.38   3.488     77
    309.88   3.461     66
    169.19   1.890    570
    167.38   1.869    568
    119.19   1.331     35
    117.06   1.308    502
    113.63   1.269     43
    110.00   1.229   1000
    107.75   1.204     79
    105.44   1.178     46
    102.94   1.150    407

in CDCl3