4-Hydroxypyridine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01558 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) | |
| Note 1 | 8,9?10,11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Hydroxypyridine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 8 | 9 | 10 | 11 | |
|---|---|---|---|---|
| 8 | 6.59 | 1.5 | 7.421 | 0.5 |
| 9 | 0 | 6.59 | 0.5 | 7.421 |
| 10 | 0 | 0 | 7.894 | 1.5 |
| 11 | 0 | 0 | 0 | 7.894 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.58379 | 0.990037 | standard |
| 6.59639 | 0.999929 | standard |
| 7.88738 | 1.00004 | standard |
| 7.89998 | 0.986444 | standard |
| 6.4893 | 0.757777 | standard |
| 6.6787 | 1.0 | standard |
| 7.80507 | 1.0 | standard |
| 7.99447 | 0.757777 | standard |
| 6.5243 | 0.830733 | standard |
| 6.65051 | 1.0 | standard |
| 7.83326 | 1.0 | standard |
| 7.95947 | 0.830733 | standard |
| 6.54126 | 0.870375 | standard |
| 6.63592 | 1.0 | standard |
| 7.84785 | 1.0 | standard |
| 7.94251 | 0.870552 | standard |
| 6.54685 | 0.883787 | standard |
| 6.63097 | 1.0 | standard |
| 7.85279 | 1.0 | standard |
| 7.93692 | 0.883787 | standard |
| 6.5513 | 0.893829 | standard |
| 6.627 | 1.00001 | standard |
| 7.85677 | 1.00001 | standard |
| 7.93247 | 0.893829 | standard |
| 6.57096 | 0.96002 | standard |
| 6.60883 | 1.00002 | standard |
| 7.87494 | 1.00006 | standard |
| 7.91282 | 0.958866 | standard |
| 6.57744 | 0.998494 | standard |
| 6.60264 | 0.999999 | standard |
| 7.88113 | 1.00001 | standard |
| 7.90633 | 0.999243 | standard |
| 6.5806 | 0.994976 | standard |
| 6.59953 | 0.997706 | standard |
| 7.88424 | 1.00009 | standard |
| 7.90317 | 0.994903 | standard |
| 6.58255 | 1.00032 | standard |
| 6.59762 | 1.00032 | standard |
| 7.88611 | 0.994897 | standard |
| 7.90122 | 1.00026 | standard |
| 6.58379 | 0.990037 | standard |
| 6.59639 | 0.999929 | standard |
| 7.88738 | 1.00004 | standard |
| 7.89998 | 0.986445 | standard |
| 6.58472 | 1.00076 | standard |
| 6.59554 | 0.996512 | standard |
| 7.88823 | 1.00063 | standard |
| 7.89904 | 1.00063 | standard |
| 6.58509 | 1.00017 | standard |
| 6.59515 | 0.98362 | standard |
| 7.88862 | 0.98362 | standard |
| 7.89867 | 1.00017 | standard |
| 6.58539 | 1.00011 | standard |
| 6.59486 | 0.983937 | standard |
| 7.88889 | 0.997317 | standard |
| 7.89838 | 0.999987 | standard |
| 6.58587 | 0.98214 | standard |
| 6.59432 | 0.99418 | standard |
| 7.88945 | 0.994408 | standard |
| 7.89782 | 1.00008 | standard |
| 6.58614 | 1.00025 | standard |
| 6.59412 | 1.00025 | standard |
| 7.88965 | 1.00025 | standard |
| 7.89763 | 1.00025 | standard |
| 6.58634 | 1.00034 | standard |
| 6.59392 | 1.00034 | standard |
| 7.88984 | 1.00034 | standard |
| 7.89743 | 1.00034 | standard |
| 6.58719 | 1.00161 | standard |
| 6.59307 | 1.00161 | standard |
| 7.8907 | 1.00161 | standard |
| 7.89657 | 1.00161 | standard |