4,4-二甲氧基丁腈(14618-78-1)質譜(MS)

產品名稱:4,4-二甲氧基丁腈

CAS:14618-78-1

分子式:C6H11NO2

分子量: 129.16

InChI:InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3

InChIKey: XJHNCGVHPLDMRK-UHFFFAOYSA-N

Smiles:C(#N)CCC(OC)OC

Mass

MS-NW-1025          
3-cyanopropionaldehyde dimethyl acetal
C6H11NO2            (Mass of molecular ion:    129)

   Source Temperature: 270 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0      12.4
      18.0       2.0
      26.0       2.8
      27.0       8.9
      28.0       9.5
      29.0      17.1
      30.0       3.0
      31.0      16.7
      32.0       4.1
      38.0       1.5
      39.0       5.1
      40.0       2.2
      41.0      15.7
      42.0      26.1
      43.0       4.9
      44.0       1.6
      45.0       8.0
      47.0      13.6
      51.0       1.1
      52.0       3.5
      53.0       1.4
      54.0       8.3
      55.0       4.8
      57.0       3.7
      58.0       7.0
      59.0       1.2
      66.0       2.7
      67.0       3.3
      68.0       7.0
      69.0       1.7
      70.0       5.3
      71.0       1.3
      75.0      82.7
      76.0       2.8
      82.0       4.3
      96.0       4.0
      97.0       8.2
      98.0     100.0
      99.0       6.1
     128.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
3-cyanopropionaldehyde dimethyl acetal

    Assign.     Shift(ppm)

      A             4.453
      B             3.369
      C             2.41
      D             1.94

     Hz     ppm     Int.

    404.38   4.516     24
    399.00   4.456     50
    393.69   4.396     28
    301.69   3.369   1000
    299.25   3.342     24
    224.94   2.512     23
    218.06   2.435     31
    217.06   2.424     34
    216.38   2.417     61
    210.25   2.348     45
    209.31   2.338     46
    183.50   2.049     24
    182.50   2.038     27
    178.13   1.989     25
    177.31   1.980     27
    176.44   1.971     41
    175.56   1.961     22
    171.06   1.911     44
    169.31   1.891     25

in CDCl3