4786-20-3

Crotononitrile (pract)(4786-20-3) IR1

Product NameCrotononitrile (pract)

CAS 4786-20-3

Molecular FormulaC4H5N

Molecular Weight67.09

InChIInChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3

InChIKey NKKMVIVFRUYPLQ-UHFFFAOYSA-N

SmilesC(#N)C=CC

Request For Quotation

Crotononitrile (pract)(4786-20-3) IR1
Mass

MS-NW-0900          
crotononitrile
C4H5N               (Mass of molecular ion:     67)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       1.0
      25.0       1.3
      26.0       5.0
      27.0      18.6
      28.0       7.4
      32.0       1.1
      32.5       1.8
      36.0       2.1
      37.0      14.8
      38.0      18.3
      39.0      43.0
      40.0      25.2
      41.0     100.0
      42.0       2.8
      50.0       1.6
      51.0       4.1
      52.0      10.3
      62.0       1.7
      63.0       4.3
      64.0       9.8
      65.0       3.1
      66.0      17.9
      67.0      53.8
      68.0       2.7

parameter in TMS

Crotononitrile (pract)(4786-20-3) IR1

¹H NMR	300 MHz
C₄ H₅ N	in TMS
crotononitrile

    Parameter     ppm  Hz

      D(A)         5.218
      D(B)         6.533
      D(C)         1.806
       J(A,B)         16.0
       J(A,C)         -1.5
       J(B,C)          6.7
     
     REDDY,G.S. ET AL. J.AM.CHEM.SOC. 83, 1300 (1961)

     Hz     ppm     Int.

   1978.14   6.594     75
   1971.45   6.571    224
   1964.76   6.549    228
   1962.17   6.541     86
   1958.02   6.527     83
   1955.48   6.518    245
   1948.79   6.496    245
   1942.09   6.474     83
   1575.48   5.252    101
   1574.01   5.247    263
   1572.53   5.242    263
   1571.02   5.237    100
   1559.51   5.198     92
   1557.99   5.193    242
   1556.52   5.188    243
   1555.04   5.183     93
    545.90   1.820    999
    544.43   1.815   1000
    539.21   1.797    993
    537.74   1.792    988

in CDCl3