4-Fluoro-2-nitrotoluene(446-10-6) Raman
Product Name4-Fluoro-2-nitrotoluene
CAS446-10-6
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey SKWTUNAAJNDEIK-UHFFFAOYSA-N
SmilesC1(C)=CC=C(F)C=C1[N+]([O-])=O
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MassMS-NW-5808 4-fluoro-2-nitrotoluene C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.4 27.0 2.0 28.0 5.5 29.0 1.5 30.0 5.4 31.0 4.2 33.0 1.0 37.0 1.6 38.0 2.7 39.0 11.2 43.0 1.1 44.0 1.9 46.0 1.0 49.0 1.1 50.0 6.7 51.0 9.1 52.0 1.8 56.0 2.3 57.0 20.1 58.0 1.2 59.0 7.1 61.0 2.8 62.0 6.6 63.0 15.7 64.0 2.4 65.0 1.2 68.0 1.8 69.0 1.9 70.0 2.6 71.0 1.3 74.0 2.5 75.0 3.9 76.0 1.3 77.0 8.3 78.0 1.0 80.0 1.4 81.0 9.1 82.0 5.8 83.0 83.9 84.0 7.7 85.0 1.5 86.0 1.6 87.0 1.8 88.0 1.2 89.0 7.8 90.0 7.2 94.0 2.1 95.0 8.5 96.0 5.4 97.0 5.3 105.0 1.2 107.0 24.8 108.0 22.1 109.0 45.9 110.0 38.7 111.0 6.5 123.0 1.1 125.0 1.7 138.0 100.0 139.0 9.3 155.0 16.5 156.0 1.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 F N O2 0.04 ml : 0.5 ml CDCl3 4-fluoro-2-nitrotoluene 
Assign. Shift(ppm)
A 7.694 B 7.35 C 7.24 D 2.570 J(F-19,A)=8.5HZ
Hz ppm Int.694.44 7.754 102 692.19 7.729 114 686.13 7.662 108 683.69 7.634 121 666.00 7.437 32 660.81 7.379 36 660.25 7.373 46 659.63 7.366 37 658.13 7.349 155 657.69 7.344 185 656.88 7.335 140 655.81 7.323 261 653.50 7.297 192 652.25 7.283 161 651.69 7.277 221 648.69 7.244 210 647.19 7.227 58 646.31 7.217 160 645.00 7.202 48 640.06 7.147 45 637.63 7.120 37 230.88 2.578 1000 229.69 2.565 944
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1H NMR 399.65 MHz C7 H6 F N O2 0.05 ml : 0.5 ml CDCl3 4-fluoro-2-nitrotoluene Assign. Shift(ppm)
A 7.680 B 7.353 C 7.254 D 2.567 90MHZ : HSP-02-573 J(F-19,A)=8.5HZ J(F-19,B)=5.6HZ
Hz ppm Int.3075.20 7.695 209 3072.39 7.688 210 3066.65 7.674 207 3063.96 7.667 213 2946.53 7.373 120 2941.28 7.360 127 2940.92 7.359 126 2937.99 7.352 182 2932.74 7.339 175 2932.37 7.338 177 2907.59 7.276 153 2905.15 7.270 149 2900.02 7.257 171 2897.34 7.250 167 2896.61 7.248 131 2891.85 7.236 103 2891.48 7.236 105 2888.79 7.229 101 1027.10 2.570 950 1026.73 2.570 966 1026.37 2.569 1000 1025.88 2.567 982
in CDCl3
liquid film
4880 A,200 M,liquid
