3-氯-4-氟苯酚(2613-23-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氯-4-氟苯酚

CAS:2613-23-2

分子式:C6H4ClFO

分子量: 146.55

InChI:InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

InChIKey: ZQXLIXHVJVAPLW-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(F)C(Cl)=C1

Mass

MS-NW-9906          
3-chloro-4-fluorophenol
C6H4ClFO            (Mass of molecular ion:    146)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       2.6
      37.0       1.1
      49.0       1.1
      50.0       1.4
      53.0       1.5
      55.0       1.9
      56.0       2.6
      57.0       8.9
      61.0       2.4
      62.0       2.1
      63.0       6.6
      67.0       1.4
      73.0       4.8
      74.0       2.1
      81.0       6.0
      82.0      10.7
      83.0      39.4
      84.0       2.5
      91.0       2.4
      93.0       1.5
      98.0       1.7
     110.0       1.5
     111.0       2.5
     117.0       6.0
     118.0       5.4
     119.0       2.2
     120.0       1.9
     126.0       1.0
     145.0       1.8
     146.0     100.0
     147.0       7.2
     148.0      32.6
     149.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl F O	0.037 g : 0.5 ml CDCl₃
3-chloro-4-fluorophenol

    Assign.     Shift(ppm)

      A             6.999
      B             6.888
      C             6.688
      D             5.27

     Hz     ppm     Int.

   2806.52   7.023    510
   2803.10   7.014     26
   2797.61   7.001   1000
   2794.56   6.993     34
   2793.58   6.991     31
   2788.94   6.979    584
   2785.77   6.971     22
   2784.91   6.969     23
   2757.45   6.900    541
   2754.39   6.893    596
   2751.46   6.885    561
   2748.41   6.878    582
   2680.30   6.707    336
   2677.25   6.699    493
   2673.58   6.690    325
   2671.39   6.685    311
   2668.33   6.677    435
   2664.67   6.668    275
   2106.93   5.272     99

in CDCl3