369-34-6

3,4-二氟硝基苯(369-34-6)紅外圖譜(IR1)

產(chǎn)品名稱:3,4-二氟硝基苯

CAS:369-34-6

分子式:C6H3F2NO2

分子量: 159.09

InChI:InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChIKey: RUBQQRMAWLSCCJ-UHFFFAOYSA-N

Smiles:C1(F)=CC=C([N+]([O-])=O)C=C1F

Mass

MS-NW-9777          
1,2-difluoro-4-nitrobenzene
C6H3F2NO2           (Mass of molecular ion:    159)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      30.0      16.0
      31.0       3.5
      37.0       1.9
      38.0       1.0
      39.0       1.2
      50.0       4.7
      51.0       3.7
      56.0       1.8
      57.0       3.8
      61.0       3.7
      62.0       9.0
      63.0      63.6
      64.0       3.7
      68.0       5.2
      69.0       2.8
      73.0       1.2
      74.0       4.5
      75.0       6.4
      81.0       3.7
      87.0       2.4
      92.0       2.0
      93.0       9.0
      94.0       2.7
     100.0       1.1
     101.0      19.8
     102.0       1.3
     112.0       4.7
     113.0     100.0
     114.0       6.8
     129.0      25.1
     130.0       1.7
     143.0       4.4
     159.0      94.5
     160.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ F₂ N O₂	0.05 ml : 0.5 ml CDCl₃
1,2-difluoro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.13
      B             8.12
      C             7.428

     Hz     ppm     Int.

   3259.03   8.155    191
   3256.59   8.149    433
   3253.78   8.142    451
   3252.32   8.138    345
   3249.63   8.132    906
   3246.95   8.125    514
   3246.34   8.123    589
   3245.12   8.120    351
   3242.31   8.113    484
   3241.21   8.111   1000
   3239.62   8.107    273
   3238.40   8.104    240
   2981.93   7.462    285
   2974.37   7.443    255
   2972.78   7.439    490
   2971.92   7.437    324
   2967.77   7.426    108
   2966.92   7.424     88
   2965.09   7.420    421
   2964.23   7.418    492
   2960.94   7.409     58
   2956.91   7.399    172
   2955.81   7.396    212
   2953.98   7.392     64

in CDCl3