10160-87-9

丙醛二乙基乙缩醛(10160-87-9)质谱(MS)

产品名称:丙醛二乙基乙缩醛

CAS:10160-87-9

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3

InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N

Smiles:C#CC(OCC)OCC

Mass

MS-IW-5073          
propiolaldehyde diethyl acetal
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.4
      27.0       8.5
      28.0       3.8
      29.0      12.1
      31.0       4.6
      38.0       1.9
      39.0       2.3
      43.0       3.0
      45.0       5.6
      47.0       1.0
      53.0       5.0
      54.0       1.4
      55.0      84.3
      56.0       4.2
      69.0       2.5
      71.0       4.9
      83.0     100.0
      84.0       6.3
      99.0       1.7
     127.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
propiolaldehyde diethyl acetal

    Assign.     Shift(ppm)

      A             5.260
      B             3.753
      C             3.599
      D             2.588
      E             1.239
     
     J(A,D)=1.8HZ

     Hz     ppm     Int.

   2103.03   5.263    272
   2101.20   5.258    263
   1516.11   3.794     72
   1509.03   3.776    209
   1506.71   3.771    100
   1501.95   3.759    218
   1499.63   3.753    263
   1494.87   3.741     85
   1492.43   3.735    263
   1485.35   3.717    100
   1453.25   3.637     96
   1446.17   3.619    270
   1443.85   3.613     77
   1439.09   3.601    276
   1436.77   3.596    208
   1432.01   3.584    106
   1429.69   3.578    209
   1422.61   3.560     76
   1035.28   2.591    386
   1033.45   2.586    376
    502.20   1.257    719
    499.51   1.250     43
    495.12   1.239   1000
    487.92   1.221    698

in CDCl3