3-Chloro-4-fluoronitrobenzene(350-30-1) MS
Product Name3-Chloro-4-fluoronitrobenzene
CAS350-30-1
Molecular FormulaC6H3ClFNO2
Molecular Weight175.54
InChIInChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKey DPHCXXYPSYMICK-UHFFFAOYSA-N
SmilesC1(F)=CC=C([N+]([O-])=O)C=C1Cl
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MassMS-NW-8933 2-chloro-1-fluoro-4-nitrobenzene C6H3ClFNO2 (Mass of molecular ion: 175)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.4 30.0 22.1 31.0 2.3 37.0 1.1 38.0 1.2 50.0 11.1 51.0 1.5 56.0 1.9 57.0 3.8 61.0 3.0 62.0 3.6 63.0 7.6 67.0 2.4 68.0 11.5 69.0 3.4 73.0 3.6 74.0 16.7 75.0 6.5 81.0 3.4 82.0 2.0 84.0 2.5 85.0 1.5 86.0 1.0 91.0 3.3 92.0 4.7 93.0 30.4 94.0 28.1 95.0 1.9 103.0 2.7 108.0 1.8 109.0 27.6 110.0 3.0 111.0 9.1 117.0 27.7 118.0 1.7 119.0 9.2 128.0 2.9 129.0 100.0 130.0 7.6 131.0 32.0 132.0 2.1 145.0 32.7 146.0 2.1 147.0 10.6 159.0 3.2 161.0 1.0 175.0 88.0 176.0 6.2 177.0 28.7 178.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl F N O2 0.045 g : 0.5 ml CDCl3 2-chloro-1-fluoro-4-nitrobenzene 
Assign. Shift(ppm)
A 8.350 B 8.185 C 7.332 J(A,B)=2.8HZ J(A,C)=0.4HZ J(A,F-19)=6.2HZ J(B,C)=9.0HZ J(B,F-19)=4.1HZ J(C,F-19)=7.9HZ
Hz ppm Int.752.81 8.406 669 750.13 8.376 966 746.63 8.337 692 743.88 8.306 1000 741.13 8.276 649 740.13 8.265 184 739.69 8.260 169 738.38 8.245 450 737.00 8.230 657 734.25 8.199 415 732.13 8.175 693 730.88 8.161 184 729.38 8.145 578 728.06 8.130 702 725.31 8.099 521 723.63 8.080 97 664.81 7.424 920 659.56 7.365 101 656.94 7.336 976 656.56 7.331 965 655.81 7.323 861 649.88 7.257 94 647.94 7.235 742 646.50 7.219 111
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
