2,3,4-TRIFLUOROPHENOL(2822-41-5) MS
Product Name2,3,4-TRIFLUOROPHENOL
CAS2822-41-5
Molecular FormulaC6H3F3O
Molecular Weight148.08
InChIInChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey IJGSULQFKYOYEU-UHFFFAOYSA-N
SmilesC1(O)=CC=C(F)C(F)=C1F
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MassMS-IW-9103 2,3,4-trifluorophenol C6H3F3O (Mass of molecular ion: 148)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.3 29.0 1.2 31.0 6.5 37.0 1.1 50.0 10.1 51.0 4.8 53.0 1.4 56.0 2.4 57.0 2.0 61.0 1.5 68.0 2.0 69.0 5.7 70.0 6.1 71.0 1.1 74.0 5.8 75.0 4.5 80.0 1.8 81.0 4.9 93.0 2.5 94.0 1.3 99.0 15.6 100.0 40.6 101.0 6.3 119.0 12.5 120.0 5.3 128.0 9.4 129.0 1.3 147.0 2.5 148.0 100.0 149.0 6.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 F3 O saturated in CDCl3 2,3,4-trifluorophenol 
Assign. Shift(ppm)
A 6.827 B 6.720 C 5.62
Hz ppm Int.2754.52 6.893 285 2753.30 6.890 326 2750.61 6.883 34 2747.68 6.876 312 2746.46 6.873 328 2743.77 6.866 878 2741.58 6.860 284 2739.87 6.856 325 2738.16 6.852 935 2734.01 6.842 442 2733.15 6.839 439 2729.37 6.830 376 2728.52 6.828 449 2698.97 6.754 33 2695.31 6.745 767 2690.55 6.733 463 2689.21 6.729 1000 2687.13 6.724 350 2685.79 6.721 612 2684.45 6.718 456 2681.15 6.709 323 2679.69 6.706 357 2678.71 6.703 450 2677.37 6.700 276 2675.05 6.694 290 2248.54 5.627 151
in CDCl3
KBr disc
nujol mull
