Methacrylonitrile(126-98-7) IR2

Product NameMethacrylonitrile

CAS 126-98-7

Molecular FormulaC4H5N

Molecular Weight67.09

InChIInChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3

InChIKey GYCMBHHDWRMZGG-UHFFFAOYSA-N

SmilesC(#N)C(C)=C

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Mass

MS-NW-0806          
methacrylonitrile
C4H5N               (Mass of molecular ion:     67)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       3.1
      27.0      11.6
      28.0       5.0
      36.0       2.0
      37.0      13.7
      38.0      16.8
      39.0      45.7
      40.0      24.8
      41.0     100.0
      42.0       2.0
      50.0       2.3
      51.0      10.6
      52.0      23.9
      62.0       1.7
      63.0       4.0
      64.0       9.4
      65.0       3.1
      66.0      25.0
      67.0      65.3
      68.0       3.6

parameter in benzene-d6

¹H NMR	300 MHz
C₄ H₅ N	30 % in benzene-d₆
methacrylonitrile

    Parameter     ppm  Hz

      D(A)         5.450
      D(B)         5.302
      D(C)         1.612
       J(A,B)          0.73
       J(A,C)         -1.20
       J(B,C)         -1.71
     
     WENDISCH,D. Z.NATURFORSCH. 23 B, 616 (1968)

     Hz     ppm     Int.

   1635.96   5.453    246
   1635.17   5.451    293
   1634.06   5.447    248
   1593.50   5.312     82
   1592.75   5.309    100
   1591.82   5.306    222
   1591.11   5.304    229
   1590.10   5.300    235
   1589.46   5.298    220
   1588.46   5.295    101
   1587.74   5.292     82
    485.06   1.617    754
    483.77   1.613   1000
    483.45   1.611   1000
    482.16   1.607    751

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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