3,4-Difluorophenol (2713-33-9) MS
Product Name3,4-Difluorophenol
CAS2713-33-9
Molecular FormulaC6H4F2O
Molecular Weight130.09
InChIInChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey BNPWVUJOPCGHIK-UHFFFAOYSA-N
SmilesC1(O)=CC=C(F)C(F)=C1
-
MassMS-IW-8986 3,4-difluorophenol C6H4F2O (Mass of molecular ion: 130)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 28.0 1.0 29.0 1.3 31.0 5.9 37.0 1.5 38.0 1.5 39.0 1.2 50.0 3.3 51.0 8.1 52.0 4.9 53.0 2.2 55.0 1.2 56.0 3.3 57.0 5.9 61.0 2.4 62.0 2.7 63.0 5.4 65.0 3.3 68.0 1.1 73.0 1.0 75.0 7.7 76.0 3.6 80.0 1.1 81.0 6.0 82.0 9.2 83.0 4.0 99.0 2.0 100.0 1.5 101.0 38.6 102.0 23.6 103.0 1.2 112.0 1.5 129.0 1.9 130.0 100.0 131.0 6.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H4 F2 O 0.043 g : 0.5 ml CDCl3 3,4-difluorophenol 
Assign. Shift(ppm)
A 7.012 B 6.679 C 6.533 D 5.31
Hz ppm Int.2816.89 7.049 206 2807.86 7.026 438 2806.76 7.024 247 2798.95 7.004 270 2797.73 7.001 430 2788.82 6.979 226 2679.93 6.706 217 2676.88 6.699 236 2673.46 6.690 223 2670.41 6.682 244 2668.58 6.678 220 2665.53 6.670 242 2662.11 6.662 216 2659.06 6.654 235 2619.26 6.554 163 2617.43 6.550 176 2616.09 6.546 244 2614.38 6.542 245 2612.92 6.539 159 2611.08 6.534 162 2610.35 6.532 163 2608.52 6.528 164 2607.18 6.524 224 2605.35 6.520 221 2604.00 6.516 138 2602.17 6.512 128 2121.46 5.309 1000
in CDCl3
KBr disc
nujol mull
