2-Chloro-4-fluorophenol(1996-41-4) ¹³C NMR

Product Name2-Chloro-4-fluorophenol

CAS 1996-41-4

Molecular FormulaC6H4ClFO

Molecular Weight146.55

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

InChIKey IGYXYGDEYHNFFT-UHFFFAOYSA-N

SmilesC1(O)=CC=C(F)C=C1Cl

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Mass

MS-KW-0524          
2-chloro-4-fluorophenol
C6H4ClFO            (Mass of molecular ion:    146)

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

      28.0       1.5
      31.0       5.9
      36.0       1.1
      37.0       2.1
      38.0       1.8
      39.0       1.2
      41.0       2.9
      49.0       1.8
      50.0       2.2
      51.0       1.2
      53.0       2.9
      55.0       6.6
      56.0       4.0
      57.0       9.9
      61.0       3.5
      62.0       3.1
      63.0      11.5
      67.0       2.0
      73.0       6.8
      74.0       2.7
      80.0       1.1
      81.0      13.5
      82.0      79.8
      83.0      16.5
      84.0       1.3
      91.0       2.7
      93.0       1.4
     110.0      17.8
     111.0       1.6
     117.0       4.8
     118.0       1.3
     119.0       1.6
     145.0       1.2
     146.0     100.0
     147.0       7.0
     148.0      32.1
     149.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆H₄ClFO	0.05 ml : 0.5 ml CDCl₃
2-chloro-4-fluorophenol

    Assign.     Shift(ppm)

     A           7.056
     B           6.949
     C           6.892
     D           5.53

     Hz     ppm     Int.

   2826.18   7.070    703
   2823.25   7.062    730
   2818.24   7.050    691
   2815.31   7.043    720
   2786.38   6.970    468
   2781.25   6.957    516
   2777.35   6.948    911
   2772.22   6.935    887
   2763.55   6.913    564
   2760.63   6.906    516
   2755.62   6.893    577
   2754.52   6.891    352
   2752.81   6.886    514
   2751.59   6.883    304
   2746.71   6.871    276
   2743.78   6.864    256
   2211.55   5.532   1000

in CDCl3