2,6-二甲基苯胺(87-62-7)質譜(MS)

產品名稱:2,6-二甲基苯胺

CAS:87-62-7

分子式:C8H11N

分子量: 121.18

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

InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

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

Mass

MS-NW-0578          
2,6-xylidine
C8H11N              (Mass of molecular ion:    121)

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

      18.0       1.0
      27.0       3.1
      28.0       3.3
      30.0       2.0
      38.0       1.2
      39.0       6.3
      41.0       2.4
      42.0       3.4
      50.0       1.6
      51.0       4.2
      52.0       3.3
      53.0       4.5
      54.0       2.0
      58.5       1.7
      59.5       2.1
      60.5       1.9
      63.0       2.1
      65.0       4.2
      66.0       1.4
      77.0      11.9
      78.0       6.9
      79.0       4.9
      80.0       2.1
      91.0       8.3
      92.0       2.4
      93.0       3.6
      94.0       1.5
     102.0       1.1
     103.0       6.7
     104.0       4.6
     105.0       2.3
     106.0      56.5
     107.0       4.7
     118.0       2.4
     119.0       1.8
     120.0      53.1
     121.0     100.0
     122.0       9.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	0.04 ml : 0.5 ml CDCl₃
2,6-xylidine

    Assign.     Shift(ppm)

      A             6.93
      B             6.62
      C             3.46
      D             2.155

     Hz     ppm     Int.

    624.63   6.975     73
    624.00   6.968     75
    623.38   6.961     62
    616.94   6.889    161
    616.38   6.883    145
    599.56   6.695     82
    593.19   6.624     48
    591.19   6.602     42
    584.88   6.531     28
    309.56   3.457     95
    193.00   2.155   1000

in CDCl3