6-Methoxypyridin-3-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02266 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Methoxypyridin-3-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|---|
| 10 | 3.834 | -14.0 | -14.0 | 0 | 0 | 0 |
| 11 | 0 | 3.834 | -14.0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 3.834 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 7.326 | 9.236 | 3.15 |
| 14 | 0 | 0 | 0 | 0 | 6.781 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.656 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.83444 | 1.0 | standard |
| 6.77293 | 0.166099 | standard |
| 6.7883 | 0.171072 | standard |
| 7.31592 | 0.0941804 | standard |
| 7.3211 | 0.0952361 | standard |
| 7.33129 | 0.0925454 | standard |
| 7.33646 | 0.0913711 | standard |
| 7.65355 | 0.182023 | standard |
| 7.65872 | 0.181961 | standard |
| 3.83444 | 1.0 | standard |
| 6.64381 | 0.100706 | standard |
| 6.87055 | 0.225007 | standard |
| 7.19389 | 0.116106 | standard |
| 7.26795 | 0.145009 | standard |
| 7.42201 | 0.043302 | standard |
| 7.4956 | 0.092662 | standard |
| 7.62441 | 0.217225 | standard |
| 7.69755 | 0.14263 | standard |
| 3.83444 | 1.0 | standard |
| 6.69362 | 0.122347 | standard |
| 6.84647 | 0.210142 | standard |
| 7.23297 | 0.107983 | standard |
| 7.28351 | 0.129181 | standard |
| 7.38582 | 0.058324 | standard |
| 7.4365 | 0.085343 | standard |
| 7.63293 | 0.205669 | standard |
| 7.68337 | 0.156016 | standard |
| 3.83444 | 1.0 | standard |
| 6.71716 | 0.133694 | standard |
| 6.83214 | 0.20135 | standard |
| 7.25441 | 0.103877 | standard |
| 7.29262 | 0.120843 | standard |
| 7.36932 | 0.0668862 | standard |
| 7.40765 | 0.0855634 | standard |
| 7.63811 | 0.199957 | standard |
| 7.6763 | 0.163178 | standard |
| 3.83444 | 1.0 | standard |
| 6.72475 | 0.137534 | standard |
| 6.82708 | 0.197875 | standard |
| 7.2618 | 0.102479 | standard |
| 7.29591 | 0.117953 | standard |
| 7.36409 | 0.069803 | standard |
| 7.39825 | 0.0858415 | standard |
| 7.63997 | 0.197938 | standard |
| 7.67404 | 0.165383 | standard |
| 3.83444 | 1.0 | standard |
| 6.73075 | 0.140592 | standard |
| 6.82286 | 0.195299 | standard |
| 7.26781 | 0.101382 | standard |
| 7.29862 | 0.115629 | standard |
| 7.35988 | 0.0722006 | standard |
| 7.39073 | 0.0863338 | standard |
| 7.64144 | 0.196376 | standard |
| 7.67216 | 0.167142 | standard |
| 3.83444 | 1.0 | standard |
| 6.75667 | 0.154593 | standard |
| 6.80278 | 0.182345 | standard |
| 7.29609 | 0.0970058 | standard |
| 7.31161 | 0.104708 | standard |
| 7.34228 | 0.083171 | standard |
| 7.3577 | 0.0889937 | standard |
| 7.64852 | 0.188847 | standard |
| 7.66402 | 0.174948 | standard |
| 3.83444 | 1.0 | standard |
| 6.7649 | 0.158862 | standard |
| 6.79564 | 0.17787 | standard |
| 7.30596 | 0.096218 | standard |
| 7.3162 | 0.10077 | standard |
| 7.33668 | 0.0871543 | standard |
| 7.34703 | 0.0891744 | standard |
| 7.65102 | 0.184664 | standard |
| 7.66135 | 0.17875 | standard |
| 3.83444 | 1.0 | standard |
| 6.76892 | 0.162274 | standard |
| 6.79197 | 0.175115 | standard |
| 7.31089 | 0.0957506 | standard |
| 7.3186 | 0.0981318 | standard |
| 7.33398 | 0.0901165 | standard |
| 7.34169 | 0.0900161 | standard |
| 7.65229 | 0.183548 | standard |
| 7.65998 | 0.181127 | standard |
| 3.83444 | 1.0 | standard |
| 6.77135 | 0.164913 | standard |
| 6.78979 | 0.17234 | standard |
| 7.31395 | 0.094709 | standard |
| 7.3201 | 0.0962708 | standard |
| 7.33239 | 0.0922982 | standard |
| 7.33853 | 0.0906742 | standard |
| 7.65307 | 0.182318 | standard |
| 7.6592 | 0.182307 | standard |
| 3.83444 | 1.0 | standard |
| 6.77293 | 0.166149 | standard |
| 6.7883 | 0.170899 | standard |
| 7.31593 | 0.093939 | standard |
| 7.3211 | 0.0952165 | standard |
| 7.33129 | 0.0926015 | standard |
| 7.33646 | 0.0914432 | standard |
| 7.65355 | 0.181931 | standard |
| 7.65872 | 0.181924 | standard |
| 3.83444 | 1.0 | standard |
| 6.77402 | 0.167612 | standard |
| 6.78721 | 0.169604 | standard |
| 7.31741 | 0.0932113 | standard |
| 7.3218 | 0.0947995 | standard |
| 7.33059 | 0.0937347 | standard |
| 7.33498 | 0.0921276 | standard |
| 7.65394 | 0.182293 | standard |
| 7.65833 | 0.182293 | standard |
| 3.83444 | 1.0 | standard |
| 6.77452 | 0.167681 | standard |
| 6.78682 | 0.169541 | standard |
| 7.3179 | 0.0928211 | standard |
| 7.3221 | 0.0944395 | standard |
| 7.33029 | 0.0937626 | standard |
| 7.33439 | 0.0921588 | standard |
| 7.65404 | 0.182291 | standard |
| 7.65813 | 0.182291 | standard |
| 3.83444 | 1.0 | standard |
| 6.77487 | 0.167463 | standard |
| 6.78642 | 0.169218 | standard |
| 7.31849 | 0.0932829 | standard |
| 7.3223 | 0.0948563 | standard |
| 7.32999 | 0.0935605 | standard |
| 7.33389 | 0.0917026 | standard |
| 7.65414 | 0.18182 | standard |
| 7.65804 | 0.181588 | standard |
| 3.83444 | 1.0 | standard |
| 6.77551 | 0.16858 | standard |
| 6.78582 | 0.16858 | standard |
| 7.31928 | 0.0926471 | standard |
| 7.3227 | 0.0942186 | standard |
| 7.32959 | 0.0942186 | standard |
| 7.333 | 0.092647 | standard |
| 7.65443 | 0.182284 | standard |
| 7.65784 | 0.182283 | standard |
| 3.83444 | 1.0 | standard |
| 6.77581 | 0.1686 | standard |
| 6.78553 | 0.1686 | standard |
| 7.31968 | 0.0927311 | standard |
| 7.3229 | 0.0943208 | standard |
| 7.32939 | 0.0943206 | standard |
| 7.33261 | 0.0927311 | standard |
| 7.65443 | 0.181578 | standard |
| 7.65775 | 0.181577 | standard |
| 3.83444 | 1.0 | standard |
| 6.77601 | 0.168604 | standard |
| 6.78523 | 0.168604 | standard |
| 7.31997 | 0.0924349 | standard |
| 7.3231 | 0.0940829 | standard |
| 7.32919 | 0.0940829 | standard |
| 7.33231 | 0.0924349 | standard |
| 7.65453 | 0.181837 | standard |
| 7.65765 | 0.181837 | standard |
| 3.83444 | 1.0 | standard |
| 6.7771 | 0.168579 | standard |
| 6.78424 | 0.168579 | standard |
| 7.32135 | 0.0922094 | standard |
| 7.3238 | 0.0938755 | standard |
| 7.32849 | 0.0944222 | standard |
| 7.33083 | 0.0928137 | standard |
| 7.65492 | 0.18256 | standard |
| 7.65725 | 0.182561 | standard |