2-Chloro-4-fluorophenol(1996-41-4) 13C NMR
Product Name2-Chloro-4-fluorophenol
CAS1996-41-4
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
-
MassMS-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
Liquid film
