105-12-4

1,4-二亚硝基苯(105-12-4)质谱(MS)

产品名称:1,4-二亚硝基苯

CAS:105-12-4

分子式:C6H4N2O2

分子量: 136.11

InChI:InChI=1S/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H

InChIKey: MKZXROSCOHNKDX-UHFFFAOYSA-N

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

Mass

MS-NW-1441          
p-dinitrosobenzene
C6H4N2O2            (Mass of molecular ion:    136)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.0
      16.0       1.3
      17.0       4.0
      18.0      17.4
      26.0       2.3
      27.0       1.8
      28.0       1.9
      29.0       2.4
      30.0      24.5
      37.0       5.8
      38.0       5.9
      39.0       5.3
      43.0       1.8
      44.0      11.6
      49.0       1.9
      50.0      52.5
      51.0       8.8
      52.0       3.6
      53.0       1.3
      61.0       3.1
      62.0       4.2
      63.0       8.1
      64.0       7.2
      65.0       2.9
      73.0       2.6
      74.0      14.7
      75.0      26.4
      76.0     100.0
      77.0       7.8
      78.0       1.2
      90.0       1.4
      92.0       7.9
     106.0      32.3
     107.0       2.7
     122.0      10.3
     123.0       1.0
     136.0      66.4
     137.0       5.1
     138.0       2.3
     152.0       7.9
     168.0      11.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ N₂ O₂	0.044 g : 0.5 ml CDCl₃
p-dinitrosobenzene

    Assign.     Shift(ppm)

      A             8.43

     Hz     ppm     Int.

    758.38   8.468     24
    754.81   8.428   1000

in CDCl3

KBr disc

nujol mull

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