6-Phenylpyrid-3-ylamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02000 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H10N2/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,12H2 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Phenylpyrid-3-ylamine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | |
|---|---|---|---|---|---|---|---|---|
| 14 | 7.458 | 7.483 | 7.483 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 7.532 | 1.5 | 8.311 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 7.532 | 0 | 8.311 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 7.818 | 1.5 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 7.818 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 7.368 | 8.929 | 3.073 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 7.69 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.135 |
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 |
|---|---|---|
| 7.35838 | 0.305989 | standard |
| 7.36335 | 0.312016 | standard |
| 7.37325 | 0.33977 | standard |
| 7.37821 | 0.33441 | standard |
| 7.44468 | 0.213629 | standard |
| 7.45709 | 0.474412 | standard |
| 7.46941 | 0.40379 | standard |
| 7.51945 | 0.544141 | standard |
| 7.53273 | 0.854222 | standard |
| 7.5454 | 0.414889 | standard |
| 7.68277 | 0.604838 | standard |
| 7.69764 | 0.553315 | standard |
| 7.81144 | 1.00019 | standard |
| 7.82502 | 0.907071 | standard |
| 8.13223 | 0.62581 | standard |
| 8.13729 | 0.625807 | standard |
| 7.18689 | 0.0973081 | standard |
| 7.25617 | 0.117162 | standard |
| 7.41329 | 0.583508 | standard |
| 7.47792 | 0.764021 | standard |
| 7.57004 | 0.793852 | standard |
| 7.61558 | 1.0 | standard |
| 7.74062 | 0.536835 | standard |
| 7.83482 | 0.376118 | standard |
| 7.97482 | 0.135095 | standard |
| 8.10238 | 0.389551 | standard |
| 8.17045 | 0.330858 | standard |
| 7.25333 | 0.154235 | standard |
| 7.30163 | 0.178289 | standard |
| 7.40381 | 0.493794 | standard |
| 7.45067 | 1.0 | standard |
| 7.55136 | 0.743103 | standard |
| 7.62997 | 0.885248 | standard |
| 7.69981 | 0.315973 | standard |
| 7.78033 | 0.789498 | standard |
| 7.84231 | 0.367706 | standard |
| 7.90546 | 0.2307 | standard |
| 8.1117 | 0.49794 | standard |
| 8.15938 | 0.448644 | standard |
| 7.28467 | 0.2171 | standard |
| 7.32166 | 0.244338 | standard |
| 7.3969 | 0.482458 | standard |
| 7.43394 | 0.670103 | standard |
| 7.46783 | 0.990988 | standard |
| 7.4794 | 1.0 | standard |
| 7.54565 | 0.818904 | standard |
| 7.60428 | 0.394386 | standard |
| 7.64406 | 0.869213 | standard |
| 7.68916 | 0.199409 | standard |
| 7.75891 | 0.743474 | standard |
| 7.77648 | 0.820853 | standard |
| 7.82373 | 0.386041 | standard |
| 7.83745 | 0.389793 | standard |
| 7.85424 | 0.377989 | standard |
| 7.87951 | 0.360192 | standard |
| 8.11692 | 0.620569 | standard |
| 8.15346 | 0.577396 | standard |
| 7.29481 | 0.219414 | standard |
| 7.32767 | 0.24223 | standard |
| 7.3943 | 0.426516 | standard |
| 7.42763 | 0.585201 | standard |
| 7.48255 | 1.0 | standard |
| 7.5437 | 0.764346 | standard |
| 7.59761 | 0.322357 | standard |
| 7.64738 | 0.827925 | standard |
| 7.70368 | 0.151594 | standard |
| 7.74752 | 0.584522 | standard |
| 7.78392 | 0.768846 | standard |
| 7.85312 | 0.391449 | standard |
| 7.87167 | 0.379393 | standard |
| 8.11871 | 0.600994 | standard |
| 8.15144 | 0.56443 | standard |
| 7.30277 | 0.222401 | standard |
| 7.33245 | 0.241198 | standard |
| 7.3921 | 0.399012 | standard |
| 7.42224 | 0.508529 | standard |
| 7.48367 | 1.0 | standard |
| 7.54207 | 0.723957 | standard |
| 7.58363 | 0.27471 | standard |
| 7.59307 | 0.28105 | standard |
| 7.65138 | 0.718344 | standard |
| 7.74175 | 0.523446 | standard |
| 7.7869 | 0.755363 | standard |
| 7.85082 | 0.40962 | standard |
| 7.86564 | 0.40152 | standard |
| 8.12027 | 0.588631 | standard |
| 8.1498 | 0.55769 | standard |
| 7.33707 | 0.292703 | standard |
| 7.35208 | 0.299003 | standard |
| 7.38168 | 0.387587 | standard |
| 7.3967 | 0.394363 | standard |
| 7.41312 | 0.153307 | standard |
| 7.45023 | 0.265451 | standard |
| 7.45714 | 0.261428 | standard |
| 7.48422 | 0.692515 | standard |
| 7.49854 | 0.736711 | standard |
| 7.53622 | 0.747484 | standard |
| 7.56808 | 0.281244 | standard |
| 7.66923 | 0.686477 | standard |
| 7.71391 | 0.52998 | standard |
| 7.75468 | 0.037004 | standard |
| 7.80027 | 1.00002 | standard |
| 7.83882 | 0.740704 | standard |
| 8.12732 | 0.652001 | standard |
| 8.1423 | 0.650347 | standard |
| 7.34792 | 0.294871 | standard |
| 7.35796 | 0.300986 | standard |
| 7.37765 | 0.356394 | standard |
| 7.38769 | 0.352621 | standard |
| 7.42971 | 0.155482 | standard |
| 7.45431 | 0.336026 | standard |
| 7.47804 | 0.513568 | standard |
| 7.50819 | 0.598332 | standard |
| 7.53455 | 0.786336 | standard |
| 7.55827 | 0.322085 | standard |
| 7.67583 | 0.634458 | standard |
| 7.70558 | 0.533159 | standard |
| 7.80535 | 1.0 | standard |
| 7.83187 | 0.832294 | standard |
| 8.1298 | 0.629632 | standard |
| 8.13982 | 0.62961 | standard |
| 7.35315 | 0.30129 | standard |
| 7.36065 | 0.307415 | standard |
| 7.37545 | 0.348992 | standard |
| 7.38295 | 0.344143 | standard |
| 7.43736 | 0.182157 | standard |
| 7.45589 | 0.399439 | standard |
| 7.47409 | 0.462118 | standard |
| 7.5136 | 0.571783 | standard |
| 7.53357 | 0.828703 | standard |
| 7.55208 | 0.365668 | standard |
| 7.6793 | 0.621653 | standard |
| 7.70161 | 0.544894 | standard |
| 7.80832 | 1.00003 | standard |
| 7.82847 | 0.873901 | standard |
| 8.13096 | 0.629427 | standard |
| 8.13856 | 0.629417 | standard |
| 7.35631 | 0.304045 | standard |
| 7.36235 | 0.310227 | standard |
| 7.37415 | 0.34351 | standard |
| 7.38019 | 0.338217 | standard |
| 7.44179 | 0.200507 | standard |
| 7.45667 | 0.442541 | standard |
| 7.47139 | 0.427992 | standard |
| 7.51707 | 0.558794 | standard |
| 7.53304 | 0.848657 | standard |
| 7.54809 | 0.398552 | standard |
| 7.68138 | 0.612557 | standard |
| 7.69923 | 0.550758 | standard |
| 7.81017 | 1.00039 | standard |
| 7.82638 | 0.897097 | standard |
| 8.13174 | 0.628926 | standard |
| 8.13778 | 0.628921 | standard |
| 7.35838 | 0.305989 | standard |
| 7.36335 | 0.312015 | standard |
| 7.37325 | 0.33977 | standard |
| 7.37821 | 0.33441 | standard |
| 7.44466 | 0.213627 | standard |
| 7.45709 | 0.474398 | standard |
| 7.46941 | 0.403789 | standard |
| 7.51945 | 0.544142 | standard |
| 7.53273 | 0.854224 | standard |
| 7.5454 | 0.414889 | standard |
| 7.68277 | 0.604836 | standard |
| 7.69764 | 0.553313 | standard |
| 7.81144 | 1.00019 | standard |
| 7.82502 | 0.90707 | standard |
| 8.13223 | 0.625809 | standard |
| 8.13729 | 0.625806 | standard |
| 7.35986 | 0.30873 | standard |
| 7.36415 | 0.314928 | standard |
| 7.37255 | 0.338798 | standard |
| 7.37683 | 0.333157 | standard |
| 7.44671 | 0.224494 | standard |
| 7.45735 | 0.497061 | standard |
| 7.46795 | 0.388993 | standard |
| 7.52118 | 0.544142 | standard |
| 7.53253 | 0.865388 | standard |
| 7.54349 | 0.431097 | standard |
| 7.68376 | 0.603324 | standard |
| 7.69655 | 0.558869 | standard |
| 7.81232 | 1.00009 | standard |
| 7.824 | 0.924781 | standard |
| 8.13262 | 0.629548 | standard |
| 8.1369 | 0.629545 | standard |
| 7.36045 | 0.310251 | standard |
| 7.36445 | 0.316348 | standard |
| 7.37235 | 0.338709 | standard |
| 7.37634 | 0.333115 | standard |
| 7.44751 | 0.229849 | standard |
| 7.45744 | 0.506255 | standard |
| 7.46735 | 0.383254 | standard |
| 7.52189 | 0.540198 | standard |
| 7.53249 | 0.873901 | standard |
| 7.54271 | 0.440174 | standard |
| 7.68416 | 0.60329 | standard |
| 7.69606 | 0.561663 | standard |
| 7.81271 | 1.00005 | standard |
| 7.8236 | 0.932427 | standard |
| 8.13271 | 0.628787 | standard |
| 8.13681 | 0.628786 | standard |
| 7.36095 | 0.311723 | standard |
| 7.36465 | 0.317768 | standard |
| 7.37205 | 0.337475 | standard |
| 7.37585 | 0.331763 | standard |
| 7.4482 | 0.23379 | standard |
| 7.45753 | 0.515814 | standard |
| 7.46681 | 0.377794 | standard |
| 7.52251 | 0.541584 | standard |
| 7.53245 | 0.876641 | standard |
| 7.54205 | 0.446997 | standard |
| 7.68455 | 0.602295 | standard |
| 7.69576 | 0.56321 | standard |
| 7.81305 | 1.00088 | standard |
| 7.82326 | 0.933201 | standard |
| 8.13291 | 0.632846 | standard |
| 8.13661 | 0.632845 | standard |
| 7.36173 | 0.311217 | standard |
| 7.36515 | 0.317554 | standard |
| 7.37164 | 0.336142 | standard |
| 7.37506 | 0.330225 | standard |
| 7.44936 | 0.240178 | standard |
| 7.45765 | 0.528795 | standard |
| 7.46592 | 0.368503 | standard |
| 7.52353 | 0.538057 | standard |
| 7.53235 | 0.876581 | standard |
| 7.54094 | 0.450606 | standard |
| 7.68515 | 0.600537 | standard |
| 7.69506 | 0.565734 | standard |
| 7.8136 | 1.0 | standard |
| 7.82268 | 0.939649 | standard |
| 8.13311 | 0.632591 | standard |
| 8.13641 | 0.632591 | standard |
| 7.36213 | 0.312756 | standard |
| 7.36535 | 0.319041 | standard |
| 7.37155 | 0.338271 | standard |
| 7.37466 | 0.332534 | standard |
| 7.44986 | 0.24362 | standard |
| 7.4577 | 0.534993 | standard |
| 7.46555 | 0.366062 | standard |
| 7.52398 | 0.539887 | standard |
| 7.53233 | 0.876626 | standard |
| 7.54043 | 0.455679 | standard |
| 7.68545 | 0.601307 | standard |
| 7.69477 | 0.568239 | standard |
| 7.81383 | 1.00103 | standard |
| 7.82248 | 0.94372 | standard |
| 8.1332 | 0.634972 | standard |
| 8.13631 | 0.634971 | standard |
| 7.36243 | 0.319082 | standard |
| 7.36545 | 0.325171 | standard |
| 7.37135 | 0.329403 | standard |
| 7.37437 | 0.323422 | standard |
| 7.45028 | 0.245743 | standard |
| 7.45773 | 0.54022 | standard |
| 7.46517 | 0.360772 | standard |
| 7.52437 | 0.537167 | standard |
| 7.53227 | 0.871493 | standard |
| 7.54001 | 0.457812 | standard |
| 7.68565 | 0.586639 | standard |
| 7.69457 | 0.578781 | standard |
| 7.81404 | 1.00151 | standard |
| 7.82223 | 0.945457 | standard |
| 8.1332 | 0.630851 | standard |
| 8.13622 | 0.630851 | standard |
| 7.36381 | 0.324298 | standard |
| 7.36615 | 0.330308 | standard |
| 7.37074 | 0.333613 | standard |
| 7.37308 | 0.327678 | standard |
| 7.45216 | 0.261608 | standard |
| 7.45789 | 0.566007 | standard |
| 7.46364 | 0.351012 | standard |
| 7.52609 | 0.5452 | standard |
| 7.5322 | 0.880984 | standard |
| 7.53817 | 0.464743 | standard |
| 7.68664 | 0.595325 | standard |
| 7.69348 | 0.589171 | standard |
| 7.81491 | 1.00117 | standard |
| 7.82129 | 0.978409 | standard |
| 8.13359 | 0.640572 | standard |
| 8.13593 | 0.640572 | standard |