587-02-0

3-乙基苯胺(587-02-0)核磁圖(¹HNMR)

產品名稱:3-乙基苯胺

CAS:587-02-0

分子式:C8H11N

分子量: 121.18

InChI:InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3

InChIKey: AMKPQMFZCBTTAT-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC(CC)=C1

Mass

MS-NW-0445          
m-ethylaniline
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       2.8
      28.0       4.2
      30.0       1.9
      38.0       1.6
      39.0       7.5
      40.0       1.1
      41.0       2.7
      42.0       2.1
      50.0       1.6
      51.0       4.4
      52.0       3.4
      53.0       4.1
      54.0       1.9
      58.5       2.5
      59.5       1.7
      62.0       1.1
      63.0       2.6
      64.0       1.3
      65.0       6.3
      66.0       3.2
      67.0       1.2
      77.0      15.0
      78.0       5.0
      79.0       9.5
      80.0       4.6
      89.0       1.5
      91.0       5.1
      92.0       2.4
      93.0      11.8
      94.0       4.4
     103.0       3.2
     104.0       2.8
     105.0       1.3
     106.0     100.0
     107.0       7.8
     117.0       1.0
     118.0       2.3
     119.0       2.5
     120.0      20.7
     121.0      99.0
     122.0       9.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	0.04 ml : 0.5 ml CDCl₃
m-ethylaniline

    Assign.     Shift(ppm)

      A             7.04
      B             6.59
      C             6.52
      D             6.47
      E             3.45
      F             2.538
      G             1.200

     Hz     ppm     Int.

    640.06   7.147     68
    638.00   7.124     43
    632.75   7.066    124
    631.75   7.054    107
    630.38   7.039     66
    626.50   6.996     42
    624.19   6.970    158
    595.63   6.651     67
    594.88   6.643    108
    594.31   6.636    155
    593.69   6.629    131
    593.00   6.622    118
    588.25   6.569     49
    587.13   6.556     95
    586.56   6.550    116
    586.00   6.544    119
    584.31   6.525    355
    583.50   6.516    285
    582.94   6.509    338
    580.81   6.486    107
    577.81   6.452    111
    576.63   6.439    100
    575.50   6.426     64
    574.38   6.414     54
    309.44   3.456    590
    239.75   2.677     67
    232.06   2.592    227
    224.50   2.507    257
    217.00   2.423    102
    114.63   1.280    449
    107.25   1.198   1000
    106.81   1.193    664
     99.50   1.111    340

in CDCl3