95-80-7

2,4-二氨基甲苯(95-80-7)核磁圖(¹HNMR)

產(chǎn)品名稱:2,4-二氨基甲苯

CAS:95-80-7

分子式:C7H10N2

分子量: 122.17

InChI:InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

InChIKey: VOZKAJLKRJDJLL-UHFFFAOYSA-N

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

Mass

MS-NW-3599          
2,4-toluenediamine
C7H10N2             (Mass of molecular ion:    122)

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

      18.0       2.2
      27.0       2.3
      28.0       4.7
      30.0       1.2
      38.0       1.3
      39.0       4.1
      40.0       2.1
      41.0       4.6
      42.0       3.8
      50.0       2.1
      51.0       4.9
      52.0       4.7
      53.0       3.7
      54.0       3.3
      60.0       1.4
      60.5       1.4
      61.0       4.5
      63.0       1.1
      65.0       3.4
      66.0       3.3
      67.0       4.0
      68.0       1.0
      76.0       1.1
      77.0      10.9
      78.0       6.1
      79.0       1.8
      80.0       4.0
      81.0       1.8
      92.0       1.6
      93.0       5.5
      94.0      18.4
      95.0       3.0
     104.0      11.1
     105.0      13.9
     106.0       7.7
     119.0       1.6
     121.0      96.2
     122.0     100.0
     123.0       8.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₀ N₂	0.047 g : 0.5 ml CDCl₃
2,4-toluenediamine

    Assign.     Shift(ppm)

      A             6.79
      B             6.03
      C             5.99
      D             3.45
      E             2.03

     Hz     ppm     Int.

    612.81   6.843    101
    612.13   6.835    143
    611.38   6.827     99
    605.31   6.759    116
    604.63   6.752    180
    603.88   6.743    132
    602.38   6.726     24
    546.75   6.105    110
    544.44   6.080    174
    539.00   6.019     31
    536.69   5.993    416
    534.81   5.972    117
    534.50   5.969    117
    308.50   3.445    709
    182.38   2.037    926
    182.00   2.033   1000

in CDCl3