70-34-8

2,4-二硝基氟苯(70-34-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,4-二硝基氟苯

CAS:70-34-8

分子式:C6H3FN2O4

分子量: 186.1

InChI:InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey: LOTKRQAVGJMPNV-UHFFFAOYSA-N

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

Mass

MS-NW-1314          
1-fluoro-2,4-dinitrobenzene
C6H3FN2O4           (Mass of molecular ion:    186)

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

      18.0       2.6
      28.0       6.4
      29.0       1.0
      30.0     100.0
      31.0       5.8
      32.0       1.0
      33.0       1.0
      37.0       2.9
      38.0       2.6
      39.0       1.1
      44.0       2.0
      45.0       1.1
      46.0       4.4
      49.0       1.1
      50.0      21.8
      51.0       3.7
      53.0       1.6
      56.0       3.8
      57.0       5.7
      61.0       4.1
      62.0       4.4
      63.0      10.3
      64.0       1.4
      68.0      19.3
      69.0       3.9
      70.0       2.2
      73.0       2.9
      74.0      13.4
      75.0       8.0
      76.0       5.9
      79.0       2.4
      81.0      10.0
      82.0      22.4
      83.0       1.6
      92.0       4.1
      93.0      38.0
      94.0      88.4
      95.0       8.7
      96.0       1.4
     107.0       7.8
     108.0       1.4
     109.0       1.0
     110.0      11.8
     111.0       1.0
     124.0       1.4
     140.0       7.8
     156.0       3.5
     170.0       4.0
     186.0      81.1
     187.0       6.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ F N₂ O₄	0.04 ml : 0.5 ml CDCl₃
1-fluoro-2,4-dinitrobenzene

    Assign.     Shift(ppm)

      A             8.983
      B             8.578
      C             7.589

     Hz     ppm     Int.

    811.88   9.066     29
    809.25   9.036    388
    806.44   9.005    448
    802.81   8.964    382
    800.06   8.934    443
    776.38   8.669    377
    773.56   8.638    344
    772.69   8.628    414
    769.81   8.596    325
    767.25   8.567    457
    764.38   8.535    431
    763.56   8.526    478
    760.69   8.494    394
    688.63   7.690    594
    684.69   7.646     24
    683.00   7.627     23
    679.13   7.583   1000
    669.94   7.481    478

in CDCl3