46429-76-9

N,N -二甲基-3,5-硝基苯(46429-76-9)核磁圖(¹HNMR)

產(chǎn)品名稱:N,N -二甲基-3,5-硝基苯

CAS:46429-76-9

分子式:C8H9N3O4

分子量: 211.17

InChI:InChI=1S/C8H9N3O4/c1-9(2)6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey: OXIFFLMOPHMUEE-UHFFFAOYSA-N

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

Mass

MS-IW-9060          
N,N-dimethyl-3,5-dinitroaniline
C8H9N3O4            (Mass of molecular ion:    211)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.8
      17.0       1.6
      18.0       8.1
      28.0       3.1
      30.0       1.4
      39.0       1.3
      42.0       5.9
      43.0       1.7
      44.0       4.2
      50.0       1.8
      51.0       1.7
      52.0       1.1
      53.0       1.0
      55.0       1.4
      56.0       1.6
      62.0       2.2
      63.0      21.9
      64.0       2.2
      65.0       1.2
      66.0       4.3
      67.0       1.0
      68.0       2.0
      69.0       1.8
      72.0      65.3
      73.0       2.7
      74.0       3.4
      75.0      14.6
      76.0       2.3
      77.0       1.2
      79.0       3.5
      80.0       1.5
      82.0       1.8
      88.0       1.3
      91.0       1.8
      92.0       4.9
      94.0       3.9
     103.0       1.8
     104.0       8.7
     105.0       1.0
     105.5       1.0
     106.0       8.6
     107.0       5.0
     118.0       8.6
     119.0       6.4
     120.0       1.6
     134.0      16.1
     135.0       9.3
     164.0       5.9
     165.0       5.0
     210.0      13.3
     211.0     100.0
     212.0      10.3
     213.0       1.3

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₉ N₃ O₄	0.040 g : 0.5 ml CDCl₃
N,N-dimethyl-3,5-dinitroaniline

    Parameter     ppm  Hz

      D(A)         8.238
      D(B)         7.721
       J(A,B)          1.9
     
      D(C)         3.164

     Hz     ppm     Int.

   2473.33   8.244     44
   2471.43   8.238     86
   2469.54   8.232     46
   2317.27   7.724    175
   2315.37   7.718    171
    949.18   3.164   1000

in CDCl3