2,4,5-三氟硝基苯(2105-61-5)Raman光譜

產(chǎn)品名稱:2,4,5-三氟硝基苯

CAS:2105-61-5

分子式:C6H2F3NO2

分子量: 177.08

InChI:InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N

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

Mass

MS-NW-9951          
1,2,4-trifluoro-5-nitrobenzene
C6H2F3NO2           (Mass of molecular ion:    177)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0       2.0
      30.0      42.2
      31.0       9.1
      37.0       2.3
      46.0       2.1
      50.0       2.2
      51.0       2.8
      56.0       2.8
      57.0       4.0
      61.0       6.9
      62.0       7.6
      68.0       4.0
      69.0       7.0
      74.0       2.1
      75.0      10.2
      76.0       1.0
      79.0       1.9
      80.0       7.9
      81.0     100.0
      82.0       5.8
      86.0       1.9
      87.0       2.0
      91.0       1.6
      92.0       2.1
      93.0       2.7
      94.0       1.2
      95.0       1.1
      99.0       5.8
     100.0       1.4
     111.0       1.9
     112.0       3.0
     119.0      35.4
     120.0       2.0
     130.0       6.2
     131.0      68.2
     132.0       4.6
     147.0      25.0
     148.0       1.7
     161.0       7.0
     177.0      97.0
     178.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ F₃ N O₂	0.05 ml : 0.5 ml CDCl₃
1,2,4-trifluoro-5-nitrobenzene

    Assign.     Shift(ppm)

      A             8.055
      B             7.278

     Hz     ppm     Int.

   3231.57   8.087    525
   3224.12   8.068    721
   3223.63   8.067    721
   3222.17   8.063    621
   3216.67   8.049    624
   3214.72   8.044    713
   3210.69   8.034     69
   3207.28   8.026    523
   2921.75   7.311    601
   2915.41   7.295    629
   2911.74   7.286   1000
   2905.27   7.270    987
   2902.10   7.262    629
   2898.32   7.253     62
   2895.75   7.246    593
   2892.09   7.237     37

in CDCl3