2-Nitro-4-fluorophenol(394-33-2) IR1
Product Name2-Nitro-4-fluorophenol
CAS394-33-2
Molecular FormulaC6H4FNO3
Molecular Weight157.1
InChIInChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey ZHRLVDHMIJDWSS-UHFFFAOYSA-N
SmilesC1(O)=CC=C(F)C=C1[N+]([O-])=O
-
MassMS-IW-9199 4-fluoro-2-nitrophenol C6H4FNO3 (Mass of molecular ion: 157)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.4 26.0 1.7 27.0 1.3 28.0 7.4 29.0 1.4 30.0 10.3 31.0 8.0 33.0 2.3 37.0 2.8 38.0 3.6 39.0 4.8 44.0 2.5 45.0 2.0 46.0 1.2 49.0 1.6 50.0 4.3 51.0 11.9 52.0 1.5 53.0 5.3 55.0 2.4 56.0 7.0 57.0 42.3 58.0 1.7 61.0 4.0 62.0 4.5 63.0 16.9 64.0 2.0 67.0 1.0 68.0 1.5 69.0 2.3 70.0 4.2 71.0 3.0 74.0 1.2 75.0 1.0 76.0 4.8 79.0 1.5 80.0 1.4 81.0 18.4 82.0 44.2 83.0 45.6 84.0 4.8 93.0 1.3 95.0 1.3 96.0 4.4 97.0 1.5 99.0 19.9 100.0 1.1 110.0 6.5 111.0 15.7 112.0 11.6 113.0 1.2 121.0 1.0 124.0 4.1 127.0 12.9 140.0 10.5 141.0 2.3 157.0 100.0 158.0 7.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H4 F N O3 0.036 g : 0.5 ml CDCl3 4-fluoro-2-nitrophenol 
Assign. Shift(ppm)
A 10.4 B 7.818 C 7.373 D 7.173
Hz ppm Int.4142.30 10.365 1000 3130.19 7.833 246 3126.98 7.825 252 3121.95 7.812 249 3118.90 7.805 250 2957.00 7.399 135 2953.80 7.391 129 2951.66 7.386 21 2949.83 7.382 143 2947.69 7.376 186 2946.62 7.374 159 2944.64 7.369 172 2940.52 7.358 172 2937.32 7.350 163 2873.08 7.189 295 2868.50 7.178 303 2863.77 7.166 235 2859.19 7.155 239
in CDCl3
KBr disc
nujol mull
