539-48-0

1,4-苯二甲胺(539-48-0)质谱(MS)

产品名称:1,4-苯二甲胺

CAS:539-48-0

分子式:C8H12N2

分子量: 136.19

InChI:InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2

InChIKey: ISKQADXMHQSTHK-UHFFFAOYSA-N

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

Mass

MS-NW-1417          
p-xylene-alpha,alpha'-diamine
C8H12N2             (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      17.0       2.0
      18.0       9.8
      27.0       1.5
      28.0      20.6
      29.0       2.3
      30.0      27.4
      39.0       4.0
      41.0       1.5
      42.0       1.0
      44.0       1.0
      45.0      10.8
      50.0       2.3
      51.0       4.6
      52.0       2.1
      53.0       1.6
      54.0       1.4
      59.5       1.5
      63.0       2.4
      65.0       3.9
      66.0       1.3
      67.0       2.5
      76.0       1.0
      77.0      10.0
      78.0       3.4
      79.0      15.1
      80.0       2.1
      89.0       3.6
      90.0       6.6
      91.0      28.1
      92.0      14.6
      93.0       4.8
     103.0       1.2
     104.0       4.1
     105.0       2.1
     106.0     100.0
     107.0       9.3
     108.0       2.4
     117.0       2.2
     118.0      24.2
     119.0      27.4
     120.0       5.1
     133.0       1.5
     134.0       2.0
     135.0      16.4
     136.0       6.9

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₂ N₂	0.044 g : 0.5 ml CDCl₃
p-xylene-alpha,alpha'-diamine

    Parameter     ppm  Hz

      D(A)         7.272
      D(B)         3.840
      D(C)         1.42

     Hz     ppm     Int.

   2181.59   7.272    992
   1152.03   3.840   1000
    426.89   1.423    782

in CDCl3

KBr disc

nujol mull

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