3-Ethoxypropionitrile(2141-62-0) MS

Product Name3-Ethoxypropionitrile

CAS 2141-62-0

Molecular FormulaC5H9NO

Molecular Weight99.13

InChIInChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3

InChIKey DCWQZPJHHVLHSV-UHFFFAOYSA-N

SmilesC(#N)CCOCC

Request For Quotation

Mass

MS-NW-1056          
3-ethoxypropionitrile
C5H9NO              (Mass of molecular ion:     99)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0       5.0
      18.0       2.3
      19.0       1.0
      26.0       6.2
      27.0      24.1
      28.0       8.7
      29.0      35.4
      30.0       1.0
      31.0     100.0
      39.0       1.2
      40.0       2.5
      41.0      10.7
      42.0       5.6
      43.0       6.5
      44.0       1.6
      45.0      14.0
      51.0       1.4
      52.0       3.9
      53.0       1.5
      54.0      71.4
      55.0      12.9
      56.0       1.1
      57.0      11.9
      59.0      58.8
      60.0       1.9
      68.0       1.2
      70.0       2.4
      72.0       1.4
      84.0       8.9
      98.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ N O	0.04 ml : 0.5 ml CDCl₃
3-ethoxypropionitrile

    Assign.     Shift(ppm)

      A             3.642
      B             3.553
      C             2.604
      D             1.226

     Hz     ppm     Int.

    333.56   3.725    207
    333.19   3.721    221
    328.94   3.673    128
    326.81   3.650    593
    324.00   3.618     29
    321.94   3.595    493
    320.81   3.583    321
    320.50   3.579    322
    314.94   3.517    514
    308.00   3.440    152
    239.06   2.670    292
    237.69   2.654     34
    233.00   2.602    538
    226.63   2.531    203
    226.25   2.527    216
    116.50   1.301    496
    109.63   1.225   1000
    106.63   1.191     29
    102.56   1.146    418

in CDCl3