2436-96-6

2,2'-二硝基联苯(2436-96-6)质谱(MS)

产品名称:2,2'-二硝基联苯

CAS:2436-96-6

分子式:C12H8N2O4

分子量: 244.2

InChI:InChI=1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H

InChIKey: QAFJHDNFUMKVIE-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2[N+]([O-])=O)=CC=CC=C1[N+]([O-])=O

Mass

MS-NW-0501          
2,2'-dinitrobiphenyl
C12H8N2O4           (Mass of molecular ion:    244)

   Source Temperature: 210 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       1.5
      28.0       1.3
      30.0       3.2
      38.0       1.2
      39.0      10.1
      50.0       4.5
      51.0       7.1
      52.0       2.8
      53.0       1.0
      62.0       3.3
      63.0      10.6
      64.0       4.3
      65.0       2.8
      74.0       4.5
      75.0       5.9
      76.0       5.6
      77.0       5.4
      78.0       5.4
      79.0       3.0
      86.0       2.1
      87.0       3.7
      88.0       3.2
      89.0       7.4
      90.0       3.7
      91.0       1.0
      92.0       1.7
      98.0       1.6
      99.0       1.6
     101.0       3.1
     102.0       4.0
     103.0       1.1
     104.0       1.5
     113.0       4.4
     114.0       6.6
     115.0      27.7
     116.0      10.8
     117.0       1.2
     125.0       1.0
     126.0       3.7
     127.0       5.7
     128.0       3.4
     129.0       1.1
     130.0       1.8
     138.0       1.1
     139.0      33.8
     140.0       9.2
     141.0      11.1
     142.0      10.5
     143.0       1.6
     150.0       2.3
     151.0       2.0
     152.0       2.6
     153.0       1.9
     154.0       1.1
     155.0       1.1
     168.0      34.8
     169.0       5.9
     170.0       8.6
     171.0       1.2
     182.0       3.0
     198.0     100.0
     199.0      14.1
     200.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₈ N₂ O₄	0.040 g : 0.5 ml CDCl₃
2,2'-dinitrobiphenyl

    Assign.     Shift(ppm)

      A             8.204
      B     *1      7.67
      C     *1      7.59
      D             7.296

     Hz     ppm     Int.

    739.94   8.262    399
    738.25   8.244    331
    736.88   8.228    306
    735.19   8.209     89
    732.50   8.179    475
    730.44   8.156    546
    697.75   7.791    106
    695.88   7.770    173
    690.31   7.708    498
    688.50   7.688    488
    686.38   7.664    586
    684.06   7.639   1000
    683.56   7.633    955
    681.31   7.608    616
    678.81   7.580    484
    676.69   7.556    516
    671.25   7.495    190
    669.25   7.473    112
    662.88   7.402     65
    657.63   7.343    601
    655.25   7.317    484
    651.56   7.276    331
    649.94   7.258    620
    648.50   7.241    384

in CDCl3