4-Trifluoromethylphenol(402-45-9) 1H NMR
Product Name4-Trifluoromethylphenol
CAS402-45-9
Molecular FormulaC7H5F3O
Molecular Weight162.11
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKey BAYGVMXZJBFEMB-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(F)(F)F)C=C1
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MassMS-NW-8820 p-(trifluoromethyl)phenol C7H5F3O (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
38.0 2.5 39.0 6.5 50.0 2.2 51.0 1.6 53.0 2.3 56.0 1.0 57.0 4.3 62.0 2.1 63.0 6.4 64.0 2.0 65.0 4.5 69.0 1.7 71.5 1.0 74.0 1.0 75.0 3.0 81.0 2.2 83.0 5.2 84.0 2.8 88.0 2.7 89.0 1.1 95.0 4.0 112.0 27.7 113.0 6.9 114.0 7.7 115.0 2.1 132.0 1.4 133.0 5.0 141.0 1.0 142.0 1.0 143.0 48.0 144.0 3.8 145.0 3.2 161.0 8.8 162.0 100.0 163.0 7.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 F3 O 0.043 g : 0.5 ml DMSO-d6 p-(trifluoromethyl)phenol 
Assign. Shift(ppm)
A 10.29 B 7.529 C 6.952
Hz ppm Int.927.76 10.360 31 922.05 10.296 1000 918.82 10.260 34 685.69 7.657 27 685.25 7.652 28 679.69 7.590 391 679.10 7.583 420 675.29 7.541 91 675.00 7.537 89 670.75 7.490 563 667.46 7.453 97 628.78 7.021 141 626.73 6.998 529 626.07 6.991 559 623.88 6.967 188 621.75 6.943 85 619.92 6.922 191 617.80 6.899 438 614.36 6.860 67
in DMSO-d6
KBr disc
nujol mull
