2-Amino-5-fluoropyridine
Simulation outputs:
|
Parameter | Value | |||||||
| Field strength | 600.01(MHz) | ||||||||
| RMSD of the fit | 0.02284 | ||||||||
| Temperature | 298 K | ||||||||
| pH | 7.4 | ||||||||
| InChI | InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) | ||||||||
| Note 1 | Ugly peak shapes | ||||||||
| Note 2 | 19F coupling not great | ||||||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Amino-5-fluoropyridine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | |
|---|---|---|---|
| 9 | 7.43 | 7.45 | 0 |
| 10 | 0 | 6.719 | 0 |
| 11 | 0 | 0 | 7.872 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.71001 | 0.499296 | standard |
| 6.71619 | 0.571993 | standard |
| 6.72196 | 0.571994 | standard |
| 6.72814 | 0.499298 | standard |
| 7.41468 | 0.420054 | standard |
| 7.42729 | 0.499198 | standard |
| 7.43309 | 0.499199 | standard |
| 7.4457 | 0.420063 | standard |
| 7.86966 | 1.00003 | standard |
| 7.87358 | 1.00003 | standard |
| 6.57426 | 0.389492 | standard |
| 6.66536 | 0.498595 | standard |
| 6.75037 | 0.514635 | standard |
| 6.84427 | 0.491682 | standard |
| 7.20965 | 0.434104 | standard |
| 7.39855 | 0.464658 | standard |
| 7.48539 | 0.457452 | standard |
| 7.68029 | 0.413871 | standard |
| 7.84137 | 1.0 | standard |
| 7.90056 | 0.98693 | standard |
| 6.62447 | 0.425928 | standard |
| 6.68568 | 0.524778 | standard |
| 6.74231 | 0.535148 | standard |
| 6.80469 | 0.495189 | standard |
| 7.28052 | 0.428315 | standard |
| 7.40646 | 0.474007 | standard |
| 7.46418 | 0.46602 | standard |
| 7.59115 | 0.370218 | standard |
| 7.85195 | 1.0 | standard |
| 7.89115 | 0.997833 | standard |
| 6.64901 | 0.443435 | standard |
| 6.69507 | 0.536672 | standard |
| 6.73741 | 0.544415 | standard |
| 6.78414 | 0.496039 | standard |
| 7.31689 | 0.42544 | standard |
| 7.41141 | 0.478365 | standard |
| 7.45468 | 0.471543 | standard |
| 7.54973 | 0.37502 | standard |
| 7.8569 | 1.0 | standard |
| 7.88629 | 0.999219 | standard |
| 6.65699 | 0.449207 | standard |
| 6.69797 | 0.540081 | standard |
| 6.73576 | 0.546988 | standard |
| 6.77724 | 0.496273 | standard |
| 7.32918 | 0.424605 | standard |
| 7.41316 | 0.479873 | standard |
| 7.4517 | 0.473596 | standard |
| 7.53607 | 0.378307 | standard |
| 7.85854 | 1.0 | standard |
| 7.88467 | 0.999471 | standard |
| 6.66335 | 0.454036 | standard |
| 6.70026 | 0.543463 | standard |
| 6.73421 | 0.549679 | standard |
| 6.77154 | 0.496557 | standard |
| 7.33904 | 0.42392 | standard |
| 7.41468 | 0.48143 | standard |
| 7.44932 | 0.47565 | standard |
| 7.52527 | 0.381311 | standard |
| 7.85986 | 1.0 | standard |
| 7.88337 | 0.999626 | standard |
| 6.69167 | 0.476303 | standard |
| 6.7102 | 0.558722 | standard |
| 6.7271 | 0.561862 | standard |
| 6.74573 | 0.498008 | standard |
| 7.38407 | 0.421341 | standard |
| 7.42199 | 0.489512 | standard |
| 7.43924 | 0.486392 | standard |
| 7.47724 | 0.398467 | standard |
| 7.86574 | 1.0 | standard |
| 7.8775 | 0.999959 | standard |
| 6.70088 | 0.483692 | standard |
| 6.71323 | 0.562545 | standard |
| 6.72464 | 0.564668 | standard |
| 6.73703 | 0.498333 | standard |
| 7.39933 | 0.42084 | standard |
| 7.42454 | 0.492037 | standard |
| 7.43612 | 0.489909 | standard |
| 7.46137 | 0.405354 | standard |
| 7.8677 | 1.00003 | standard |
| 7.87554 | 1.00001 | standard |
| 6.70545 | 0.487687 | standard |
| 6.71472 | 0.565647 | standard |
| 6.72324 | 0.567241 | standard |
| 6.73253 | 0.498701 | standard |
| 7.40695 | 0.420433 | standard |
| 7.42592 | 0.494297 | standard |
| 7.43455 | 0.492696 | standard |
| 7.45353 | 0.408734 | standard |
| 7.86868 | 1.00003 | standard |
| 7.87456 | 1.00002 | standard |
| 6.70827 | 0.490235 | standard |
| 6.7157 | 0.56818 | standard |
| 6.72246 | 0.569452 | standard |
| 6.7299 | 0.499045 | standard |
| 7.41163 | 0.420417 | standard |
| 7.42676 | 0.49472 | standard |
| 7.43371 | 0.493429 | standard |
| 7.44885 | 0.411027 | standard |
| 7.86927 | 1.00003 | standard |
| 7.87397 | 1.00002 | standard |
| 6.71001 | 0.499297 | standard |
| 6.71619 | 0.571999 | standard |
| 6.72196 | 0.571999 | standard |
| 6.72814 | 0.499299 | standard |
| 7.41468 | 0.420054 | standard |
| 7.42729 | 0.499194 | standard |
| 7.43309 | 0.499196 | standard |
| 7.4457 | 0.420063 | standard |
| 7.86966 | 1.00003 | standard |
| 7.87358 | 1.00003 | standard |
| 6.71141 | 0.499904 | standard |
| 6.71672 | 0.57522 | standard |
| 6.72153 | 0.57522 | standard |
| 6.72684 | 0.499905 | standard |
| 7.4169 | 0.420086 | standard |
| 7.4277 | 0.498851 | standard |
| 7.43268 | 0.498853 | standard |
| 7.44348 | 0.420092 | standard |
| 7.86994 | 1.0 | standard |
| 7.8733 | 1.0 | standard |
| 6.71186 | 0.499827 | standard |
| 6.71682 | 0.574758 | standard |
| 6.72133 | 0.574759 | standard |
| 6.72628 | 0.499828 | standard |
| 7.41773 | 0.420017 | standard |
| 7.42782 | 0.499152 | standard |
| 7.43246 | 0.499153 | standard |
| 7.44255 | 0.420022 | standard |
| 7.87005 | 1.00003 | standard |
| 7.87318 | 1.00003 | standard |
| 6.7123 | 0.499638 | standard |
| 6.71694 | 0.573818 | standard |
| 6.7212 | 0.573818 | standard |
| 6.72584 | 0.499639 | standard |
| 7.41849 | 0.419871 | standard |
| 7.42798 | 0.499764 | standard |
| 7.4323 | 0.499765 | standard |
| 7.44179 | 0.419874 | standard |
| 7.87015 | 1.00003 | standard |
| 7.87309 | 1.00003 | standard |
| 6.71313 | 0.500094 | standard |
| 6.71727 | 0.576176 | standard |
| 6.72098 | 0.576176 | standard |
| 6.72511 | 0.500094 | standard |
| 7.41977 | 0.419588 | standard |
| 7.42825 | 0.501012 | standard |
| 7.43203 | 0.501012 | standard |
| 7.44051 | 0.419591 | standard |
| 7.87031 | 1.00002 | standard |
| 7.87292 | 1.00002 | standard |
| 6.71343 | 0.499876 | standard |
| 6.71734 | 0.574629 | standard |
| 6.72091 | 0.574629 | standard |
| 6.72482 | 0.499877 | standard |
| 7.42039 | 0.420042 | standard |
| 7.42836 | 0.499386 | standard |
| 7.43201 | 0.499387 | standard |
| 7.43999 | 0.420045 | standard |
| 7.87038 | 1.00021 | standard |
| 7.87285 | 1.00021 | standard |
| 6.71372 | 0.499815 | standard |
| 6.71743 | 0.574751 | standard |
| 6.72081 | 0.574751 | standard |
| 6.72453 | 0.499816 | standard |
| 7.42088 | 0.419987 | standard |
| 7.42845 | 0.499125 | standard |
| 7.43193 | 0.499125 | standard |
| 7.4395 | 0.419989 | standard |
| 7.87045 | 1.00004 | standard |
| 7.87279 | 1.00004 | standard |
| 6.715 | 0.500636 | standard |
| 6.71787 | 0.579102 | standard |
| 6.72037 | 0.579102 | standard |
| 6.72324 | 0.500636 | standard |
| 7.42297 | 0.419694 | standard |
| 7.42882 | 0.50034 | standard |
| 7.43146 | 0.50034 | standard |
| 7.43731 | 0.419695 | standard |
| 7.87072 | 1.00001 | standard |
| 7.87252 | 1.00001 | standard |