706-03-6

3-（苄氨基）丙腈(706-03-6)红外图谱(IR1)

产品名称:3-（苄氨基）丙腈

CAS:706-03-6

分子式:C10H12N2

分子量: 160.22

InChI:InChI=1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2

InChIKey: MWTGBAURSCEGSL-UHFFFAOYSA-N

Smiles:C(#N)CCNCC1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1269          
3-(benzylamino)propionitrile
C10H12N2            (Mass of molecular ion:    160)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.1
      28.0       3.0
      30.0       1.4
      39.0       3.5
      40.0       1.2
      41.0       3.0
      42.0       3.8
      50.0       1.5
      51.0       3.8
      52.0       2.5
      53.0       2.1
      54.0       3.2
      60.0       1.3
      63.0       2.2
      65.0       8.8
      77.0       3.6
      78.0       1.9
      79.0       2.6
      81.0       1.0
      83.0       3.5
      89.0       2.5
      90.0       1.2
      91.0     100.0
      92.0       9.4
     103.0       1.6
     104.0       2.0
     106.0       5.8
     107.0       3.2
     118.0       7.1
     119.0       2.5
     120.0      39.3
     121.0       3.7
     159.0       4.3
     160.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ N₂	0.05 ml : 0.5 ml CDCl₃
3-(benzylamino)propionitrile

    Assign.     Shift(ppm)

      A           7.4 to 7.20
      B             3.765
      C             2.827
      D             2.416
      E             1.53

     Hz     ppm     Int.

    652.44   7.285   1000
    341.19   3.810     41
    337.25   3.766    536
    261.56   2.921     63
    260.50   2.909     63
    253.94   2.836    196
    248.25   2.772    148
    222.25   2.482    142
    221.63   2.475    129
    215.94   2.412    243
    211.50   2.362     26
    209.50   2.340     72
    208.25   2.326     64
    137.63   1.537     68

in CDCl3