74367-78-5

3,5-二硝基苄氯(74367-78-5)核磁图(¹³CNMR)

产品名称:3,5-二硝基苄氯

CAS:74367-78-5

分子式:C7H5ClN2O4

分子量: 216.58

InChI:InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

InChIKey: SMJODKZAFKWUJG-UHFFFAOYSA-N

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

Mass

MS-NW-7259          
3,5-dinitrobenzyl chloride
C7H5ClN2O4          (Mass of molecular ion:    216)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       2.1
      30.0      24.5
      37.0       1.5
      38.0       3.2
      39.0      12.3
      46.0       1.0
      49.0       1.7
      50.0       4.8
      51.0       7.7
      52.0       1.6
      61.0       2.4
      62.0      10.5
      63.0      26.9
      64.0       2.5
      65.0       1.5
      73.0       4.5
      74.0       2.6
      75.0      10.0
      76.0       2.4
      77.0       8.3
      78.0       1.1
      85.0       1.7
      86.0       3.1
      87.0       4.6
      88.0       4.2
      89.0      32.0
      90.0       2.8
      97.0       1.2
     105.0      11.2
     106.0       1.1
     112.0       1.3
     123.0      27.0
     124.0      17.3
     125.0      10.2
     126.0       6.0
     134.0       1.0
     135.0       6.5
     140.0       6.4
     142.0       2.2
     169.0       2.5
     170.0      12.6
     171.0       1.8
     172.0       4.2
     181.0     100.0
     182.0       8.8
     183.0       1.2
     199.0       4.4
     200.0       1.2
     201.0       1.6
     216.0      47.1
     217.0       4.3
     218.0      16.1
     219.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Cl N₂ O₄	0.042 g : 0.5 ml CDCl₃
3,5-dinitrobenzyl chloride

    Assign.     Shift(ppm)

      A             9.003
      B             8.622
      C             4.785
     
     J(A,B)=2.1HZ
     J(B,C)=1.0HZ

     Hz     ppm     Int.

    810.88   9.055     27
    810.50   9.050     30
    808.50   9.028    166
    806.44   9.005    310
    804.38   8.982    186
    802.56   8.962     27
    777.31   8.680     36
    773.06   8.632    672
    771.00   8.609    584
    428.81   4.788   1000
    428.38   4.784    932

in CDCl3