3-TRIFLUOROMETHYL-4'-METHOXYDIPHENYLAMINE(1494-26-4) 1H NMR
Product Name3-TRIFLUOROMETHYL-4'-METHOXYDIPHENYLAMINE
CAS1494-26-4
Molecular FormulaC14H12F3NO
Molecular Weight267.25
InChIInChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3
InChIKey VODIERGLAGAWQU-UHFFFAOYSA-N
SmilesC1(NC2=CC=C(OC)C=C2)=CC=CC(C(F)(F)F)=C1
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MassMS-IW-2183 4'-methoxy-3-(trifluoromethyl)diphenylamine C14H12F3NO (Mass of molecular ion: 267)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 3.6 27.0 1.6 28.0 2.1 29.0 1.2 39.0 2.9 41.0 4.2 42.0 2.5 43.0 1.2 50.0 1.7 51.0 2.2 52.0 2.4 53.0 2.1 55.0 6.4 56.0 2.6 57.0 1.2 63.0 2.8 64.0 2.0 65.0 1.3 69.0 2.5 70.0 1.9 75.0 1.9 76.0 1.0 77.0 1.7 82.0 1.3 83.0 8.8 89.5 1.0 95.0 2.1 98.0 4.0 123.5 1.7 125.0 1.1 126.0 1.0 127.0 1.1 128.0 2.0 133.5 1.4 145.0 4.1 154.0 7.6 155.0 7.1 167.0 1.7 171.0 1.0 177.0 2.5 182.0 1.3 184.0 1.3 185.0 1.3 196.0 1.5 197.0 2.4 198.0 1.9 203.0 1.4 204.0 2.6 222.0 2.6 223.0 1.8 224.0 2.1 235.0 2.3 248.0 4.2 251.0 1.2 252.0 100.0 253.0 14.7 254.0 1.4 267.0 75.6 268.0 11.8 269.0 1.0 271.0 1.9 341.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H12 F3 N O 0.036 g : 0.5 ml CDCl3 4'-methoxy-3-(trifluoromethyl)diphenylamine 
Assign. Shift(ppm)
A 7.265 B 7.08 C 7.06 D *1 7.026 E *1 6.986 F 6.892 G 5.61 J 3.804
Hz ppm Int.2911.74 7.286 36 2904.05 7.267 79 2895.87 7.247 50 2834.96 7.094 170 2832.76 7.089 59 2828.37 7.078 70 2826.05 7.072 252 2823.73 7.066 110 2823.24 7.065 108 2812.01 7.037 64 2811.40 7.035 65 2804.32 7.017 54 2803.71 7.016 55 2797.36 7.000 54 2795.53 6.995 47 2795.17 6.995 47 2789.18 6.980 47 2787.35 6.975 41 2786.87 6.974 41 2758.42 6.903 273 2756.10 6.897 73 2751.71 6.886 70 2749.51 6.880 207 1520.51 3.805 1000
in CDCl3
KBr disc
nujol mull
