2,4-二甲基苯胺(95-68-1)核磁圖(¹HNMR)

產(chǎn)品名稱:2,4-二甲基苯胺

CAS:95-68-1

分子式:C8H11N

分子量: 121.18

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

InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(C)C=C1C

Mass

MS-NW-0565          
2,4-xylidine
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.8
      27.0       2.7
      28.0       3.4
      30.0       1.2
      38.0       1.0
      39.0       5.3
      41.0       2.6
      42.0       2.4
      46.5       1.0
      50.0       1.6
      51.0       4.2
      52.0       3.6
      53.0       3.8
      54.0       1.9
      58.5       2.2
      59.5       1.8
      60.5       1.6
      63.0       1.9
      65.0       3.6
      66.0       1.3
      77.0      11.5
      78.0       4.2
      79.0       3.8
      80.0       2.4
      91.0       7.3
      92.0       1.7
      93.0       3.6
      94.0       1.4
     103.0       3.3
     104.0       2.7
     105.0       1.8
     106.0      54.4
     107.0       4.4
     118.0       3.1
     119.0       2.8
     120.0      71.0
     121.0     100.0
     122.0       8.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	0.05 ml : 0.5 ml CDCl₃
2,4-xylidine

    Assign.     Shift(ppm)

      A             6.84
      B             6.80
      C             6.52
      D             3.38
      E     *1      2.000
      F     *1      2.087

     Hz     ppm     Int.

    613.63   6.852    222
    613.00   6.845    248
    612.44   6.839    224
    611.75   6.831    196
    611.06   6.823    178
    607.19   6.780    152
    606.69   6.775    144
    605.13   6.757    105
    587.69   6.562    226
    585.06   6.533     63
    583.25   6.513     29
    581.63   6.495     43
    579.19   6.468    124
    302.88   3.382     97
    203.38   2.271     25
    197.06   2.201   1000
    187.00   2.088    976
    177.81   1.986     30
    176.75   1.974     26
    175.94   1.965     23

in CDCl3