2-Amino-5-chlorobenzotrifluoride(445-03-4) 13C NMR
Product Name2-Amino-5-chlorobenzotrifluoride
CAS445-03-4
Molecular FormulaC7H5ClF3N
Molecular Weight195.57
InChIInChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey CVINWVPRKDIGLL-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Cl)C=C1C(F)(F)F
-
MassMS-NW-6372 4-chloro-2-(trifluoromethyl)aniline C7H5ClF3N (Mass of molecular ion: 195)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.3 20.0 1.0 28.0 3.2 31.0 1.5 36.0 1.7 37.0 2.1 38.0 2.5 39.0 2.3 41.0 2.3 44.5 1.6 45.5 1.2 46.0 1.2 50.0 2.3 51.0 1.8 52.0 4.6 56.0 1.1 57.0 1.3 61.0 2.7 62.0 4.3 62.5 1.5 63.0 9.4 64.0 2.5 65.0 2.3 66.0 1.5 69.0 2.3 69.5 1.0 70.0 5.2 70.5 1.7 73.0 2.6 74.0 2.7 75.0 4.2 77.5 1.6 81.0 1.7 83.0 1.2 87.0 1.5 87.5 4.2 88.0 5.2 88.5 1.5 89.0 2.4 90.0 3.2 91.0 1.2 95.0 1.5 97.0 1.1 97.5 2.3 98.0 1.0 99.0 2.8 100.0 1.4 110.0 1.7 111.0 1.1 112.0 2.5 113.0 8.6 114.0 2.3 120.0 3.0 125.0 2.5 131.0 1.2 132.0 5.0 133.0 1.4 136.0 1.1 138.0 1.5 139.0 2.2 140.0 5.2 145.0 1.5 147.0 1.3 148.0 56.8 149.0 4.3 150.0 18.5 151.0 1.3 156.0 2.4 158.0 1.2 160.0 2.1 167.0 1.3 174.0 1.4 175.0 73.5 176.0 15.4 177.0 24.3 178.0 5.1 194.0 2.9 195.0 100.0 196.0 9.3 197.0 32.4 198.0 2.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H5 Cl F3 N 0.05 ml : 0.5 ml CDCl3 4-chloro-2-(trifluoromethyl)aniline 
Assign. Shift(ppm)
A 7.380 B 7.205 C 6.629 D 4.15
Hz ppm Int.2957.15 7.400 21 2956.42 7.398 23 2950.93 7.384 959 2948.49 7.378 1000 2942.87 7.364 26 2942.38 7.363 24 2885.50 7.221 504 2884.89 7.219 502 2883.06 7.214 476 2882.45 7.213 451 2876.83 7.199 534 2876.22 7.197 537 2874.39 7.193 518 2873.78 7.191 497 2653.56 6.640 862 2644.78 6.618 809 1658.81 4.151 242
in CDCl3
liquid film
4880 A,200 M,liquid
