2,3,5,6-Tetrafluorophenol(769-39-1) 13C NMR
Molecular FormulaC6H2F4O
Molecular Weight166.07
InChIInChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey PBYIIRLNRCVTMQ-UHFFFAOYSA-N
SmilesC1(O)=C(F)C(F)=CC(F)=C1F
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![](https://www.chemicalbook.com/Spectrum/769-39-1_MS.gif)
Mass
MS-NW-7661
2,3,5,6-tetrafluorophenol
C6H2F4O (Mass of molecular ion: 166)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
28.0 3.2
31.0 5.9
37.0 1.7
51.0 2.1
56.0 2.3
68.0 12.2
69.0 7.0
71.0 1.6
74.0 2.4
75.0 5.5
79.0 1.5
80.0 1.8
83.0 3.5
87.0 5.5
88.0 3.0
93.0 3.7
98.0 1.6
99.0 32.4
100.0 1.9
106.0 1.1
117.0 4.9
118.0 62.2
119.0 6.9
137.0 8.3
146.0 1.0
165.0 1.3
166.0 100.0
167.0 6.7
90 MHz in CDCl3
400 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/769-39-1_1HNMR.gif)
1H NMR |
89.56 MHz |
C6 H2 F4 O
|
0.044 g : 0.5 ml CDCl3
|
2,3,5,6-tetrafluorophenol
|
![ChemicalStructure](Spectrum/769-39-1_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 6.647
B 5.64
|
Hz ppm Int.
616.06 6.879 30
612.44 6.839 246
610.56 6.818 44
609.25 6.803 57
605.31 6.759 499
602.31 6.726 493
598.19 6.680 313
595.19 6.646 929
592.19 6.613 286
590.69 6.596 95
588.06 6.567 491
585.06 6.533 469
582.44 6.504 35
581.88 6.498 37
580.50 6.482 39
577.94 6.454 231
505.19 5.641 1000
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![](https://www.chemicalbook.com/Spectrum/769-39-1_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C6 H2 F4 O
|
0.05 ml : 0.5 ml CDCl3
|
2,3,5,6-tetrafluorophenol
|
![ChemicalStructure](Spectrum/769-39-1_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 6.642
|
Hz ppm Int.
2671.63 6.685 271
2668.95 6.679 35
2667.60 6.675 47
2664.43 6.667 540
2661.38 6.660 538
2657.35 6.650 324
2654.30 6.642 1000
2651.25 6.634 299
2647.22 6.624 522
2644.17 6.617 500
2640.26 6.607 31
2639.65 6.605 29
2636.96 6.599 255