3-Cyanopyridine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04143 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H | |
| Note 1 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Cyanopyridine | 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 | 7.631 | 7.707 | 5.294 | 0.692 |
| 10 | 0 | 8.245 | 0 | 2.348 |
| 11 | 0 | 0 | 8.782 | 0 |
| 12 | 0 | 0 | 0 | 8.905 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.62052 | 0.428989 | standard |
| 7.62958 | 0.507766 | standard |
| 7.63311 | 0.52841 | standard |
| 7.64212 | 0.453209 | standard |
| 8.23685 | 0.556176 | standard |
| 8.24059 | 0.567389 | standard |
| 8.24972 | 0.549423 | standard |
| 8.25335 | 0.538044 | standard |
| 8.77819 | 0.945607 | standard |
| 8.7869 | 0.94566 | standard |
| 8.90306 | 0.986566 | standard |
| 8.90641 | 1.00003 | standard |
| 7.45313 | 0.185881 | standard |
| 7.58849 | 0.270854 | standard |
| 7.642 | 0.353445 | standard |
| 7.77303 | 0.40627 | standard |
| 8.13608 | 0.434645 | standard |
| 8.19006 | 0.478405 | standard |
| 8.3273 | 0.247321 | standard |
| 8.38153 | 0.282483 | standard |
| 8.72204 | 0.690433 | standard |
| 8.86328 | 1.0 | standard |
| 8.92537 | 0.668201 | standard |
| 7.51581 | 0.3018 | standard |
| 7.60629 | 0.414758 | standard |
| 7.64179 | 0.493914 | standard |
| 7.73046 | 0.510371 | standard |
| 8.16904 | 0.578429 | standard |
| 8.20542 | 0.624529 | standard |
| 8.29694 | 0.39759 | standard |
| 8.33351 | 0.426207 | standard |
| 8.74073 | 0.939185 | standard |
| 8.82835 | 0.899295 | standard |
| 8.88762 | 1.0 | standard |
| 8.92081 | 0.895122 | standard |
| 7.54604 | 0.340336 | standard |
| 7.61387 | 0.451917 | standard |
| 7.64055 | 0.514905 | standard |
| 7.70747 | 0.505584 | standard |
| 8.18684 | 0.584986 | standard |
| 8.21425 | 0.624385 | standard |
| 8.28284 | 0.443954 | standard |
| 8.31032 | 0.463569 | standard |
| 8.75066 | 0.96098 | standard |
| 8.81636 | 0.8939 | standard |
| 8.89228 | 1.0 | standard |
| 8.91705 | 0.933414 | standard |
| 7.55591 | 0.352969 | standard |
| 7.61633 | 0.462561 | standard |
| 7.63987 | 0.519191 | standard |
| 7.69951 | 0.503102 | standard |
| 8.19291 | 0.584808 | standard |
| 8.21736 | 0.621665 | standard |
| 8.27827 | 0.459078 | standard |
| 8.30272 | 0.475398 | standard |
| 8.75412 | 0.965501 | standard |
| 8.81251 | 0.898578 | standard |
| 8.89372 | 1.0 | standard |
| 8.91571 | 0.944674 | standard |
| 7.56377 | 0.360896 | standard |
| 7.61814 | 0.469189 | standard |
| 7.63935 | 0.521847 | standard |
| 7.69303 | 0.496716 | standard |
| 8.19787 | 0.582571 | standard |
| 8.21985 | 0.617007 | standard |
| 8.27472 | 0.469261 | standard |
| 8.29675 | 0.482903 | standard |
| 8.75684 | 0.964693 | standard |
| 8.80947 | 0.900271 | standard |
| 8.89478 | 1.00001 | standard |
| 8.9147 | 0.951304 | standard |
| 7.59834 | 0.407292 | standard |
| 7.62542 | 0.504026 | standard |
| 7.63604 | 0.530942 | standard |
| 7.66307 | 0.477965 | standard |
| 8.22084 | 0.582415 | standard |
| 8.23189 | 0.592747 | standard |
| 8.25929 | 0.528808 | standard |
| 8.27036 | 0.517044 | standard |
| 8.76949 | 0.971304 | standard |
| 8.7959 | 0.932478 | standard |
| 8.89981 | 1.00001 | standard |
| 8.90977 | 0.999408 | standard |
| 7.6095 | 0.426115 | standard |
| 7.62761 | 0.506832 | standard |
| 7.63468 | 0.534609 | standard |
| 7.65269 | 0.461278 | standard |
| 8.22885 | 0.574024 | standard |
| 8.23611 | 0.584644 | standard |
| 8.25444 | 0.540834 | standard |
| 8.26175 | 0.529282 | standard |
| 8.77384 | 0.95137 | standard |
| 8.79135 | 0.951807 | standard |
| 8.90138 | 1.0 | standard |
| 8.9081 | 0.999828 | standard |
| 7.61503 | 0.430493 | standard |
| 7.62864 | 0.506753 | standard |
| 7.63388 | 0.531997 | standard |
| 7.6474 | 0.452158 | standard |
| 8.23285 | 0.565861 | standard |
| 8.23835 | 0.57677 | standard |
| 8.25205 | 0.544733 | standard |
| 8.25755 | 0.533108 | standard |
| 8.77597 | 0.947839 | standard |
| 8.78917 | 0.948345 | standard |
| 8.90223 | 1.00006 | standard |
| 8.90726 | 0.99999 | standard |
| 7.61834 | 0.434903 | standard |
| 7.62924 | 0.517249 | standard |
| 7.63338 | 0.533814 | standard |
| 7.64424 | 0.456095 | standard |
| 8.23529 | 0.568527 | standard |
| 8.23967 | 0.579618 | standard |
| 8.25064 | 0.553711 | standard |
| 8.25501 | 0.542044 | standard |
| 8.7773 | 0.957388 | standard |
| 8.78779 | 0.957482 | standard |
| 8.90269 | 1.0001 | standard |
| 8.90679 | 1.00006 | standard |
| 7.62052 | 0.428988 | standard |
| 7.62958 | 0.507767 | standard |
| 7.63311 | 0.528411 | standard |
| 7.64212 | 0.453208 | standard |
| 8.23685 | 0.556176 | standard |
| 8.24059 | 0.567388 | standard |
| 8.24972 | 0.549422 | standard |
| 8.25335 | 0.538043 | standard |
| 8.77819 | 0.945601 | standard |
| 8.7869 | 0.945654 | standard |
| 8.90306 | 0.986567 | standard |
| 8.90641 | 1.00003 | standard |
| 7.6221 | 0.444584 | standard |
| 7.62981 | 0.521367 | standard |
| 7.63287 | 0.521367 | standard |
| 7.64058 | 0.444584 | standard |
| 8.23802 | 0.552159 | standard |
| 8.2412 | 0.563684 | standard |
| 8.24901 | 0.563684 | standard |
| 8.25219 | 0.55216 | standard |
| 8.77879 | 0.954776 | standard |
| 8.7863 | 0.95481 | standard |
| 8.9033 | 1.00032 | standard |
| 8.90619 | 1.00031 | standard |
| 7.62274 | 0.443464 | standard |
| 7.62994 | 0.520685 | standard |
| 7.63275 | 0.512017 | standard |
| 7.63998 | 0.434879 | standard |
| 8.23852 | 0.55069 | standard |
| 8.2414 | 0.561816 | standard |
| 8.24871 | 0.557634 | standard |
| 8.2517 | 0.546118 | standard |
| 8.77899 | 0.945346 | standard |
| 8.78611 | 0.945374 | standard |
| 8.90342 | 0.983111 | standard |
| 8.90606 | 1.00014 | standard |
| 7.62324 | 0.435156 | standard |
| 7.63004 | 0.511103 | standard |
| 7.63272 | 0.520271 | standard |
| 7.63944 | 0.435466 | standard |
| 8.2389 | 0.542566 | standard |
| 8.24171 | 0.554117 | standard |
| 8.2485 | 0.554117 | standard |
| 8.25131 | 0.542566 | standard |
| 8.77928 | 0.940599 | standard |
| 8.78581 | 0.940622 | standard |
| 8.90345 | 1.00001 | standard |
| 8.90596 | 0.982253 | standard |
| 7.62418 | 0.441391 | standard |
| 7.63017 | 0.519486 | standard |
| 7.6325 | 0.519159 | standard |
| 7.6386 | 0.440607 | standard |
| 8.23959 | 0.553304 | standard |
| 8.24201 | 0.56453 | standard |
| 8.24809 | 0.559601 | standard |
| 8.25063 | 0.547908 | standard |
| 8.77958 | 0.951506 | standard |
| 8.78551 | 0.951523 | standard |
| 8.90366 | 1.00004 | standard |
| 8.90582 | 1.00003 | standard |
| 7.62457 | 0.434509 | standard |
| 7.63028 | 0.512675 | standard |
| 7.63248 | 0.523515 | standard |
| 7.63821 | 0.43405 | standard |
| 8.23988 | 0.548445 | standard |
| 8.24221 | 0.559748 | standard |
| 8.248 | 0.559748 | standard |
| 8.25033 | 0.548445 | standard |
| 8.77978 | 0.947896 | standard |
| 8.78531 | 0.94791 | standard |
| 8.90367 | 1.00008 | standard |
| 8.90582 | 1.00008 | standard |
| 7.62492 | 0.439693 | standard |
| 7.63028 | 0.512618 | standard |
| 7.63249 | 0.512619 | standard |
| 7.63786 | 0.439693 | standard |
| 8.24018 | 0.550982 | standard |
| 8.24231 | 0.561968 | standard |
| 8.24779 | 0.556326 | standard |
| 8.25004 | 0.544814 | standard |
| 8.77988 | 0.943016 | standard |
| 8.78522 | 0.943028 | standard |
| 8.90379 | 1.00052 | standard |
| 8.9057 | 1.00051 | standard |
| 7.6264 | 0.446381 | standard |
| 7.63054 | 0.520527 | standard |
| 7.63224 | 0.520527 | standard |
| 7.63638 | 0.446381 | standard |
| 8.24125 | 0.549887 | standard |
| 8.24292 | 0.560862 | standard |
| 8.24719 | 0.560862 | standard |
| 8.24886 | 0.549887 | standard |
| 8.78047 | 0.946797 | standard |
| 8.78452 | 0.946802 | standard |
| 8.90392 | 1.00065 | standard |
| 8.90548 | 0.971008 | standard |