4-Fluoro-1-benzenecarbothioamide
Simulation outputs:
|
Parameter | Value | |||||||||
| Field strength | 600.01(MHz) | ||||||||||
| RMSD of the fit | 0.02739 | ||||||||||
| Temperature | 298 K | ||||||||||
| pH | 7.4 | ||||||||||
| InChI | InChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) | ||||||||||
| Note 1 | 11,12?13,14 | ||||||||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Fluoro-1-benzenecarbothioamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | |
|---|---|---|---|---|
| 11 | 7.205 | 1.5 | 8.803 | 0 |
| 12 | 0 | 7.205 | 0 | 8.803 |
| 13 | 0 | 0 | 7.902 | 1.5 |
| 14 | 0 | 0 | 0 | 7.902 |
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 |
|---|---|---|
| 7.19123 | 0.531531 | standard |
| 7.20539 | 1.00001 | standard |
| 7.21954 | 0.537121 | standard |
| 7.89035 | 0.55102 | standard |
| 7.89929 | 0.603596 | standard |
| 7.90485 | 0.598978 | standard |
| 7.91378 | 0.54546 | standard |
| 6.97492 | 0.424707 | standard |
| 7.19135 | 1.0 | standard |
| 7.40094 | 0.661821 | standard |
| 7.7418 | 0.669879 | standard |
| 7.87642 | 0.698305 | standard |
| 7.96081 | 0.521172 | standard |
| 8.09458 | 0.437451 | standard |
| 7.05585 | 0.459368 | standard |
| 7.19902 | 1.0 | standard |
| 7.33931 | 0.616003 | standard |
| 7.79195 | 0.627507 | standard |
| 7.88153 | 0.66371 | standard |
| 7.93739 | 0.546504 | standard |
| 8.02663 | 0.472986 | standard |
| 7.09476 | 0.47783 | standard |
| 7.20181 | 1.0 | standard |
| 7.30726 | 0.594928 | standard |
| 7.81816 | 0.6075 | standard |
| 7.88529 | 0.647502 | standard |
| 7.92712 | 0.56007 | standard |
| 7.99408 | 0.491782 | standard |
| 7.10751 | 0.483705 | standard |
| 7.20255 | 1.00001 | standard |
| 7.29634 | 0.587755 | standard |
| 7.82711 | 0.600585 | standard |
| 7.88677 | 0.641943 | standard |
| 7.9239 | 0.564411 | standard |
| 7.98343 | 0.497769 | standard |
| 7.11767 | 0.487842 | standard |
| 7.20309 | 1.0 | standard |
| 7.28751 | 0.581275 | standard |
| 7.83437 | 0.594273 | standard |
| 7.88806 | 0.636708 | standard |
| 7.92141 | 0.56659 | standard |
| 7.97498 | 0.501448 | standard |
| 7.16227 | 0.509267 | standard |
| 7.20483 | 1.00003 | standard |
| 7.24713 | 0.557141 | standard |
| 7.86758 | 0.571564 | standard |
| 7.89441 | 0.617729 | standard |
| 7.91109 | 0.5824 | standard |
| 7.93789 | 0.522047 | standard |
| 7.17676 | 0.519586 | standard |
| 7.20513 | 1.00008 | standard |
| 7.23339 | 0.550956 | standard |
| 7.87892 | 0.565286 | standard |
| 7.8968 | 0.613762 | standard |
| 7.90792 | 0.592167 | standard |
| 7.92579 | 0.532997 | standard |
| 7.18405 | 0.525072 | standard |
| 7.20531 | 1.00007 | standard |
| 7.22651 | 0.543525 | standard |
| 7.88458 | 0.558783 | standard |
| 7.89799 | 0.60761 | standard |
| 7.90633 | 0.595023 | standard |
| 7.91973 | 0.537697 | standard |
| 7.18838 | 0.528298 | standard |
| 7.20534 | 1.00024 | standard |
| 7.22229 | 0.536263 | standard |
| 7.88809 | 0.548709 | standard |
| 7.89881 | 0.602018 | standard |
| 7.90553 | 0.593217 | standard |
| 7.91625 | 0.540437 | standard |
| 7.19123 | 0.531517 | standard |
| 7.20539 | 1.00001 | standard |
| 7.21954 | 0.537107 | standard |
| 7.89035 | 0.551006 | standard |
| 7.89929 | 0.603585 | standard |
| 7.90485 | 0.598967 | standard |
| 7.91378 | 0.545445 | standard |
| 7.1933 | 0.528417 | standard |
| 7.20538 | 1.0 | standard |
| 7.21747 | 0.529645 | standard |
| 7.89207 | 0.543305 | standard |
| 7.89973 | 0.595455 | standard |
| 7.90451 | 0.594986 | standard |
| 7.91217 | 0.542635 | standard |
| 7.19408 | 0.531509 | standard |
| 7.20538 | 1.0 | standard |
| 7.21669 | 0.532021 | standard |
| 7.89271 | 0.545979 | standard |
| 7.89987 | 0.599947 | standard |
| 7.90427 | 0.599528 | standard |
| 7.91142 | 0.545366 | standard |
| 7.19482 | 0.535749 | standard |
| 7.20544 | 1.00063 | standard |
| 7.21605 | 0.532929 | standard |
| 7.89334 | 0.55024 | standard |
| 7.90004 | 0.60325 | standard |
| 7.9042 | 0.598586 | standard |
| 7.91091 | 0.546239 | standard |
| 7.19598 | 0.529011 | standard |
| 7.20538 | 1.0 | standard |
| 7.21479 | 0.529012 | standard |
| 7.89429 | 0.542822 | standard |
| 7.90025 | 0.597341 | standard |
| 7.90388 | 0.597341 | standard |
| 7.90985 | 0.542822 | standard |
| 7.19641 | 0.537685 | standard |
| 7.20538 | 1.00001 | standard |
| 7.21435 | 0.541506 | standard |
| 7.89464 | 0.551677 | standard |
| 7.90028 | 0.604888 | standard |
| 7.90385 | 0.604888 | standard |
| 7.9095 | 0.551677 | standard |
| 7.19694 | 0.538094 | standard |
| 7.20544 | 1.00092 | standard |
| 7.21394 | 0.534966 | standard |
| 7.89508 | 0.552291 | standard |
| 7.90045 | 0.60723 | standard |
| 7.90369 | 0.60723 | standard |
| 7.90905 | 0.55229 | standard |
| 7.19886 | 0.528363 | standard |
| 7.20538 | 1.00003 | standard |
| 7.2119 | 0.532481 | standard |
| 7.89668 | 0.546319 | standard |
| 7.90081 | 0.600603 | standard |
| 7.90334 | 0.593537 | standard |
| 7.90746 | 0.54077 | standard |