4-Fluorophenol
Simulation outputs:
|
Parameter | Value | |||||||||
| Field strength | 600.01(MHz) | ||||||||||
| RMSD of the fit | 0.02735 | ||||||||||
| Temperature | 298 K | ||||||||||
| pH | 7.4 | ||||||||||
| InChI | InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H | ||||||||||
| Note 1 | 9,10?11,12 | ||||||||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Fluorophenol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | |
|---|---|---|---|---|
| 9 | 7.025 | 1.5 | 8.486 | 0 |
| 10 | 0 | 7.025 | 0 | 8.486 |
| 11 | 0 | 0 | 6.861 | 1.5 |
| 12 | 0 | 0 | 0 | 6.861 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.84978 | 0.650748 | standard |
| 6.85714 | 0.707 | standard |
| 6.86381 | 0.746779 | standard |
| 6.87116 | 0.715568 | standard |
| 7.01038 | 0.682693 | standard |
| 7.02574 | 1.00001 | standard |
| 7.04045 | 0.617084 | standard |
| -0.965636 | 0.0296291 | standard |
| 6.48544 | 0.0399321 | standard |
| 6.64665 | 0.194419 | standard |
| 6.85589 | 1.0 | standard |
| 6.97484 | 0.709067 | standard |
| 7.03156 | 0.747354 | standard |
| 7.07974 | 0.718134 | standard |
| 7.30777 | 0.180763 | standard |
| -0.982101 | 0.0317751 | standard |
| 6.62132 | 0.0446411 | standard |
| 6.72649 | 0.296305 | standard |
| 6.80317 | 0.420101 | standard |
| 6.82655 | 0.470193 | standard |
| 6.87502 | 0.849036 | standard |
| 6.89801 | 0.919125 | standard |
| 6.94212 | 1.0 | standard |
| 6.9883 | 0.533427 | standard |
| 7.01779 | 0.577553 | standard |
| 7.05489 | 0.797057 | standard |
| 7.20422 | 0.278504 | standard |
| -0.942823 | 0.0170571 | standard |
| 6.68803 | 0.028299 | standard |
| 6.76437 | 0.274884 | standard |
| 6.82055 | 0.358585 | standard |
| 6.83688 | 0.343838 | standard |
| 6.87151 | 0.544595 | standard |
| 6.92693 | 1.00001 | standard |
| 7.04374 | 0.636589 | standard |
| 7.15481 | 0.258825 | standard |
| -0.858118 | 0.0159401 | standard |
| 6.7101 | 0.0311941 | standard |
| 6.77647 | 0.37472 | standard |
| 6.8262 | 0.476398 | standard |
| 6.8399 | 0.435162 | standard |
| 6.87143 | 0.688075 | standard |
| 6.9235 | 0.957519 | standard |
| 6.93517 | 1.0 | standard |
| 7.04045 | 0.826185 | standard |
| 7.13892 | 0.352808 | standard |
| -0.975257 | 0.0112511 | standard |
| 6.72726 | 0.0295281 | standard |
| 6.78604 | 0.446743 | standard |
| 6.83068 | 0.557609 | standard |
| 6.87118 | 0.775228 | standard |
| 6.9159 | 0.867983 | standard |
| 6.9438 | 1.00001 | standard |
| 7.03805 | 0.943791 | standard |
| 7.12632 | 0.420719 | standard |
| 6.826 | 0.579114 | standard |
| 6.84814 | 0.661131 | standard |
| 6.86816 | 0.780471 | standard |
| 6.89019 | 0.76835 | standard |
| 6.98276 | 0.739107 | standard |
| 7.02919 | 1.00001 | standard |
| 7.07302 | 0.546321 | standard |
| 6.83825 | 0.621443 | standard |
| 6.85298 | 0.691019 | standard |
| 6.86624 | 0.770155 | standard |
| 6.88093 | 0.747856 | standard |
| 6.99631 | 0.716256 | standard |
| 7.02723 | 1.00001 | standard |
| 7.05638 | 0.58574 | standard |
| 6.84402 | 0.639718 | standard |
| 6.85506 | 0.703018 | standard |
| 6.86505 | 0.764649 | standard |
| 6.87607 | 0.736993 | standard |
| 7.00331 | 0.70443 | standard |
| 7.02649 | 1.00003 | standard |
| 7.04833 | 0.606269 | standard |
| 6.84748 | 0.648293 | standard |
| 6.85631 | 0.707356 | standard |
| 6.86429 | 0.754246 | standard |
| 6.8731 | 0.723675 | standard |
| 7.00757 | 0.690716 | standard |
| 7.02605 | 1.0 | standard |
| 7.04362 | 0.613916 | standard |
| 6.84978 | 0.650778 | standard |
| 6.85714 | 0.707037 | standard |
| 6.86381 | 0.746815 | standard |
| 6.87116 | 0.715601 | standard |
| 7.01038 | 0.682725 | standard |
| 7.02574 | 1.00001 | standard |
| 7.04045 | 0.617112 | standard |
| 6.85139 | 0.663803 | standard |
| 6.85769 | 0.72175 | standard |
| 6.86335 | 0.754781 | standard |
| 6.86965 | 0.721173 | standard |
| 7.01251 | 0.687238 | standard |
| 7.02572 | 1.00011 | standard |
| 7.03822 | 0.62955 | standard |
| 6.85199 | 0.662176 | standard |
| 6.85787 | 0.718341 | standard |
| 6.86316 | 0.752578 | standard |
| 6.86904 | 0.719056 | standard |
| 7.01336 | 0.685043 | standard |
| 7.0257 | 1.00009 | standard |
| 7.03737 | 0.628306 | standard |
| 6.85256 | 0.663296 | standard |
| 6.85808 | 0.719079 | standard |
| 6.86306 | 0.748075 | standard |
| 6.86857 | 0.713283 | standard |
| 7.01405 | 0.679432 | standard |
| 7.02557 | 1.00001 | standard |
| 7.03658 | 0.629216 | standard |
| 6.85346 | 0.660847 | standard |
| 6.85836 | 0.714184 | standard |
| 6.86277 | 0.74382 | standard |
| 6.86767 | 0.709218 | standard |
| 7.01528 | 0.673022 | standard |
| 7.0255 | 1.00007 | standard |
| 7.03532 | 0.627279 | standard |
| 6.85388 | 0.671816 | standard |
| 6.85853 | 0.725093 | standard |
| 6.86271 | 0.749777 | standard |
| 6.86735 | 0.71407 | standard |
| 7.01579 | 0.679827 | standard |
| 7.0255 | 1.00009 | standard |
| 7.03474 | 0.637134 | standard |
| 6.85419 | 0.659296 | standard |
| 6.8586 | 0.711689 | standard |
| 6.86263 | 0.733746 | standard |
| 6.86704 | 0.698101 | standard |
| 7.01623 | 0.664453 | standard |
| 7.02541 | 1.00031 | standard |
| 7.0343 | 0.626077 | standard |
| 6.85579 | 0.673719 | standard |
| 6.85918 | 0.722682 | standard |
| 6.86226 | 0.734945 | standard |
| 6.86565 | 0.697134 | standard |
| 7.01822 | 0.662674 | standard |
| 7.02522 | 1.00017 | standard |
| 7.0321 | 0.640286 | standard |