1,2,4-Trifluoro-5-nitrobenzene(2105-61-5) 13C NMR
Product Name1,2,4-Trifluoro-5-nitrobenzene
CAS2105-61-5
Molecular FormulaC6H2F3NO2
Molecular Weight177.08
InChIInChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey ROJNMGYMBLNTPK-UHFFFAOYSA-N
SmilesC1(F)=CC([N+]([O-])=O)=C(F)C=C1F
-
MassMS-NW-9951 1,2,4-trifluoro-5-nitrobenzene C6H2F3NO2 (Mass of molecular ion: 177)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 2.0 30.0 42.2 31.0 9.1 37.0 2.3 46.0 2.1 50.0 2.2 51.0 2.8 56.0 2.8 57.0 4.0 61.0 6.9 62.0 7.6 68.0 4.0 69.0 7.0 74.0 2.1 75.0 10.2 76.0 1.0 79.0 1.9 80.0 7.9 81.0 100.0 82.0 5.8 86.0 1.9 87.0 2.0 91.0 1.6 92.0 2.1 93.0 2.7 94.0 1.2 95.0 1.1 99.0 5.8 100.0 1.4 111.0 1.9 112.0 3.0 119.0 35.4 120.0 2.0 130.0 6.2 131.0 68.2 132.0 4.6 147.0 25.0 148.0 1.7 161.0 7.0 177.0 97.0 178.0 6.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H2 F3 N O2 0.05 ml : 0.5 ml CDCl3 1,2,4-trifluoro-5-nitrobenzene 
Assign. Shift(ppm)
A 8.055 B 7.278
Hz ppm Int.3231.57 8.087 525 3224.12 8.068 721 3223.63 8.067 721 3222.17 8.063 621 3216.67 8.049 624 3214.72 8.044 713 3210.69 8.034 69 3207.28 8.026 523 2921.75 7.311 601 2915.41 7.295 629 2911.74 7.286 1000 2905.27 7.270 987 2902.10 7.262 629 2898.32 7.253 62 2895.75 7.246 593 2892.09 7.237 37
in CDCl3
liquid film
