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4439-02-5

3,4-(Methylenedioxy)phenylacetonitrile

Product Name 3,4-(Methylenedioxy)phenylacetonitrile

CAS4439-02-5

MFC9H7NO2

MW161.16

More

  • 4439-02-5_ms
    Mass

    MS-IW-0714          
    (3,4-methylenedioxyphenyl)acetonitrile
    C9H7NO2             (Mass of molecular ion:    161)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.0
          28.0       4.6
          29.0       1.6
          31.0       2.5
          38.0       1.5
          39.0       2.3
          43.0       1.1
          45.0       1.6
          50.0       5.1
          51.0       5.7
          52.0       2.1
          53.0       1.7
          62.0       1.9
          63.0       5.0
          64.0       1.5
          65.0       1.8
          65.5       1.2
          66.0       1.4
          74.0       1.1
          75.0       4.0
          76.0      14.0
          77.0       9.3
          78.0       2.4
          80.0       1.9
          80.5       1.8
         102.0       4.3
         103.0      29.9
         104.0       5.3
         105.0       5.3
         130.0       2.5
         131.0      25.9
         132.0       4.0
         135.0       2.4
         160.0      88.5
         161.0     100.0
         162.0      10.3
    

400 MHz in CDCl3

  • 4439-02-5_1hnmr

    1H NMR 399.65 MHz
    C9 H7 N O2 0.040 g : 0.5 ml CDCl3
    (3,4-methylenedioxyphenyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.78 B 5.970 C 3.649

         Hz     ppm     Int.
    

       2717.65   6.801     39
       2716.80   6.798     34
       2712.04   6.787    182
       2711.43   6.785    195
       2710.69   6.783    254
       2709.59   6.780    451
       2708.74   6.778    290
       2708.13   6.777    250
       2706.79   6.773    155
       2699.95   6.756     25
       2699.34   6.755     23
       2698.61   6.753     24
       2386.23   5.971   1000
       1458.37   3.650    611
    

in CDCl3

  • 4439-02-5_13cnmr

KBr disc

  • 4439-02-5_ir1_2

nujol mull

  • 4439-02-5_ir2

  • 4439-02-5_raman