ALPHA-METHYLPHENYLACETONITRILE(1823-91-2) ¹³C NMR

Product NameALPHA-METHYLPHENYLACETONITRILE

CAS 1823-91-2

Molecular FormulaC9H9N

Molecular Weight131.17

InChIInChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3

InChIKey NVAOLENBKNECGF-UHFFFAOYSA-N

SmilesC1(C=CC=CC=1)C(C)C#N

Request For Quotation

ALPHA-METHYLPHENYLACETONITRILE(1823-91-2) <sup>13</sup>C NMR
Mass

MS-NW-4643          
2-phenylpropionitrile
C9H9N               (Mass of molecular ion:    131)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.2
      38.0       1.4
      39.0       5.5
      43.0       1.6
      50.0       4.5
      51.0      10.3
      52.0       2.4
      62.0       1.7
      63.0       4.7
      64.0       1.7
      65.0       2.0
      74.0       1.5
      75.0       1.5
      76.0       1.8
      77.0       9.5
      78.0       4.9
      79.0       1.2
      88.0       1.2
      89.0      10.6
      90.0       3.2
      91.0       1.5
     102.0       1.5
     103.0       6.9
     104.0       7.6
     105.0       2.9
     116.0     100.0
     117.0       9.4
     130.0       4.3
     131.0      34.5
     132.0       3.7

90 MHz in CDCl3

ALPHA-METHYLPHENYLACETONITRILE(1823-91-2) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₉ H₉ N	0.04 ml : 0.5 ml CDCl₃
2-phenylpropionitrile

    Assign.     Shift(ppm)

      A          7.51 to 7.16
      B             3.868
      C             1.605
     
     J(B,C)=7.3HZ.

     Hz     ppm     Int.

    660.06   7.371     48
    658.63   7.355    154
    657.13   7.338   1000
    654.38   7.307     85
    653.63   7.299     64
    647.94   7.235     26
    357.75   3.995     31
    350.44   3.913     94
    343.13   3.832    101
    335.94   3.752     38
    147.38   1.646    720
    145.25   1.622     28
    140.13   1.565    648
    138.00   1.541     26

in CDCl3