5-Chloro-2-nitrobenzotrifluoride(118-83-2) 13C NMR
Product Name5-Chloro-2-nitrobenzotrifluoride
CAS118-83-2
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey CFPIGEXZPWTNOR-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1C(F)(F)F
-
MassMS-NW-9893 5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene C7H3ClF3NO2 (Mass of molecular ion: 225)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.5 30.0 70.5 31.0 2.6 36.0 1.3 37.0 2.7 38.0 2.6 46.0 1.8 49.0 1.6 50.0 7.4 51.0 2.7 57.0 2.4 61.0 2.8 62.0 3.6 63.0 4.7 67.0 1.0 68.0 1.9 69.0 11.8 73.0 5.4 74.0 17.4 75.0 25.7 76.0 5.6 80.0 1.0 81.0 2.4 84.0 1.8 85.0 3.4 86.0 1.1 87.0 1.9 88.0 1.3 91.0 3.3 92.0 1.4 93.0 7.7 94.0 7.2 95.0 1.9 97.0 1.1 99.0 6.8 109.0 6.7 110.0 2.8 111.0 2.7 112.0 3.1 113.0 1.3 117.0 3.6 118.0 1.4 119.0 3.9 123.0 2.2 124.0 1.2 125.0 11.8 126.0 1.2 129.0 13.7 130.0 1.1 131.0 7.0 132.0 31.4 133.0 2.4 143.0 20.1 144.0 41.3 145.0 3.4 147.0 6.4 148.0 1.6 149.0 2.2 153.0 1.0 159.0 6.7 160.0 1.6 161.0 2.3 167.0 33.2 168.0 2.3 169.0 10.7 179.0 100.0 180.0 8.2 181.0 32.2 182.0 2.6 195.0 53.9 196.0 4.3 197.0 17.6 198.0 1.3 206.0 4.2 208.0 1.4 209.0 3.5 211.0 1.1 225.0 69.4 226.0 5.7 227.0 22.4 228.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H3 Cl F3 N O2 0.05 ml : 0.5 ml CDCl3 5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene 
Assign. Shift(ppm)
A 7.915 B 7.828 C 7.740
Hz ppm Int.3175.78 7.947 29 3167.60 7.926 715 3158.94 7.905 890 3145.51 7.871 26 3129.64 7.831 896 3127.44 7.826 1000 3118.41 7.803 24 3116.09 7.798 27 3114.50 7.794 26 3107.67 7.776 23 3098.27 7.753 648 3097.90 7.752 682 3096.07 7.747 599 3095.70 7.747 605 3089.72 7.732 513 3089.23 7.730 545 3087.40 7.726 486 3087.04 7.725 494 3082.76 7.714 28 3080.08 7.707 21
in CDCl3
liquid film
