1,2,3-Trifluoro-4-nitrobenzene(771-69-7) 13C NMR
Product Name1,2,3-Trifluoro-4-nitrobenzene
CAS771-69-7
Molecular FormulaC6H2F3NO2
Molecular Weight177.08
InChIInChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey ARCACZWMYGILNI-UHFFFAOYSA-N
SmilesC1(F)=CC=C([N+]([O-])=O)C(F)=C1F
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MassMS-IW-9014 1,2,3-trifluoro-4-nitrobenzene C6H2F3NO2 (Mass of molecular ion: 177)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.9 30.0 55.6 31.0 11.9 37.0 2.7 38.0 1.0 46.0 3.5 50.0 2.4 51.0 4.1 55.0 1.2 56.0 2.6 57.0 5.9 61.0 7.9 62.0 9.3 63.0 3.5 68.0 5.2 69.0 8.6 73.0 1.3 74.0 2.6 75.0 8.5 76.0 1.0 78.0 2.2 79.0 2.2 80.0 8.1 81.0 100.0 82.0 5.7 86.0 1.5 87.0 1.6 92.0 2.1 93.0 4.9 97.0 1.0 99.0 6.5 100.0 2.0 111.0 2.4 112.0 4.0 119.0 26.9 120.0 1.7 130.0 5.3 131.0 52.6 132.0 3.6 145.0 1.1 147.0 29.6 148.0 2.1 161.0 5.0 163.0 1.3 175.0 2.4 177.0 91.9 178.0 6.5 182.0 1.8 184.0 1.1 193.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H2 F3 N O2 0.05 ml : 0.5 ml CDCl3 1,2,3-trifluoro-4-nitrobenzene 
Assign. Shift(ppm)
A 8.000 B 7.236
Hz ppm Int.3209.84 8.032 465 3207.24 8.026 503 3204.65 8.019 520 3202.06 8.013 918 3200.07 8.008 735 3199.62 8.007 696 3197.63 8.002 691 3197.02 8.000 646 3194.89 7.995 702 3192.44 7.989 952 3190.00 7.982 542 3187.41 7.976 483 3184.81 7.969 478 2905.43 7.270 607 2902.98 7.264 657 2898.41 7.253 685 2896.58 7.248 877 2895.97 7.247 1000 2894.29 7.243 775 2893.37 7.240 712 2889.71 7.231 732 2888.79 7.229 738 2887.27 7.225 975 2886.51 7.223 814 2884.67 7.218 644 2880.10 7.207 589 2877.81 7.201 572
in CDCl3
liquid film
