446-36-6

5-氟-2-硝基苯酚(446-36-6)红外图谱(IR1)

产品名称:5-氟-2-硝基苯酚

CAS:446-36-6

分子式:C6H4FNO3

分子量: 157.1

InChI:InChI=1S/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H

InChIKey: QQURWFRNETXFTN-UHFFFAOYSA-N

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

Mass

MS-IW-1343          
5-fluoro-2-nitrophenol
C6H4FNO3            (Mass of molecular ion:    157)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.8
      28.0       3.8
      30.0       3.0
      31.0       2.9
      33.0       1.1
      37.0       1.5
      38.0       2.2
      39.0       2.5
      44.0       2.7
      45.0       1.0
      50.0       2.2
      51.0       7.2
      53.0       2.2
      56.0       2.6
      57.0      25.0
      61.0       2.3
      62.0       2.8
      63.0       9.9
      64.0       1.4
      69.0       1.9
      70.0       3.0
      71.0       2.2
      76.0       5.1
      81.0      10.1
      82.0      17.2
      83.0      25.8
      84.0       2.6
      95.0       1.4
      96.0       4.5
      97.0       1.8
      99.0      13.2
     110.0       3.4
     111.0       4.2
     112.0       2.1
     124.0       5.3
     127.0      19.3
     128.0       1.3
     140.0       3.1
     141.0       2.2
     157.0     100.0
     158.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F N O₃	0.040 g : 0.5 ml CDCl₃
5-fluoro-2-nitrophenol

    Assign.     Shift(ppm)

      A            10.81
      B             8.170
      C             6.849
      D             6.738

     Hz     ppm     Int.

   4321.08  10.813    983
   4319.61  10.809   1000
   3272.82   8.190    455
   3267.14   8.176    457
   3263.48   8.166    480
   3257.62   8.152    478
   2743.65   6.866    465
   2741.09   6.859    545
   2734.13   6.842    467
   2731.56   6.835    549
   2702.62   6.763    385
   2699.87   6.756    322
   2695.29   6.745    381
   2693.28   6.740    393
   2692.55   6.738    401
   2690.53   6.733    337
   2685.77   6.721    376
   2683.02   6.714    304

in CDCl3