3-羥基丙腈(109-78-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-羥基丙腈

CAS:109-78-4

分子式:C3H5NO

分子量: 71.08

InChI:InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2

InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N

Smiles:C(#N)CCO

Mass

MS-NW-1438          
3-hydroxypropionitrile
C3H5NO              (Mass of molecular ion:     71)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       2.1
      15.0       7.1
      17.0       1.6
      18.0       7.0
      25.0       1.3
      26.0      13.0
      27.0       5.2
      28.0       4.9
      29.0      11.2
      30.0       1.5
      31.0     100.0
      32.0       1.1
      38.0       2.6
      39.0       3.0
      40.0       5.9
      41.0      66.0
      42.0       7.9
      43.0       1.7
      51.0       5.5
      52.0      10.4
      53.0      11.7
      54.0       1.3

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ N O	0.04 ml : 0.5 ml CDCl₃
3-hydroxypropionitrile

    Assign.     Shift(ppm)

      A             3.849
      B             3.44
      C             2.612
     
     J(A,C)=6.1HZ.

     Hz     ppm     Int.

    351.25   3.922    364
    345.13   3.854    734
    339.06   3.786    453
    308.38   3.444    106
    239.81   2.678    437
    236.50   2.641     38
    233.88   2.612   1000
    229.94   2.568     38
    227.69   2.543    357

¹H NMR	300 MHz
C₃ H₅ N O	0.04 ml : 0.5 ml CDCl₃
3-hydroxypropionitrile

    Parameter     ppm  Hz

      D(A)         3.849
      D(B)         2.612
       J(A,B)          6.08
     
      D(C)         3.44

     Hz     ppm     Int.

   1160.83   3.869    485
   1154.76   3.849   1000
   1148.68   3.829    518
   1032.00   3.440     89
    789.63   2.632    518
    783.56   2.612    996
    777.48   2.592    485

in CDCl3