4-Hydroxy-3-nitrobenzotrifluoride(400-99-7) 1H NMR
Product Name4-Hydroxy-3-nitrobenzotrifluoride
CAS400-99-7
Molecular FormulaC7H4F3NO3
Molecular Weight207.11
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey XZEDEVRSUANQEM-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
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MassMS-NW-9763 2-nitro-4-(trifluoromethyl)phenol C7H4F3NO3 (Mass of molecular ion: 207)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.2 30.0 5.6 37.0 1.0 38.0 1.6 39.0 2.0 50.0 2.0 51.0 2.1 53.0 4.1 57.0 4.8 61.0 1.4 62.0 3.7 63.0 18.9 64.0 2.2 69.0 3.3 75.0 3.9 76.0 1.2 81.0 2.5 82.0 1.4 83.0 8.8 87.0 1.0 88.0 1.4 99.0 1.8 101.0 6.2 107.0 3.5 112.0 1.9 113.0 19.5 114.0 3.2 126.0 4.6 129.0 3.7 132.0 13.5 133.0 7.2 141.0 6.1 142.0 2.9 143.0 1.5 146.0 2.4 149.0 14.7 150.0 1.0 160.0 5.0 161.0 20.7 162.0 6.5 174.0 3.2 177.0 17.1 178.0 1.3 188.0 9.6 190.0 4.5 191.0 1.8 207.0 100.0 208.0 8.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 F3 N O3 0.05 ml : 0.5 ml CDCl3 2-nitro-4-(trifluoromethyl)phenol 
Assign. Shift(ppm)
A 10.8 B 8.420 C 7.832 D 7.322
Hz ppm Int.966.58 10.793 1000 754.76 8.428 458 754.39 8.424 457 753.30 8.412 466 707.81 7.904 258 707.37 7.899 258 705.62 7.879 235 705.10 7.873 224 703.13 7.851 45 702.83 7.848 45 699.02 7.806 360 698.51 7.800 361 696.75 7.780 333 696.24 7.775 317 659.55 7.365 477 659.25 7.361 471 655.52 7.320 46 655.00 7.314 46 650.76 7.267 337 650.39 7.263 332
in CDCl3
liquid film
