Quinolin-2-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03354 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | |
| Note 1 | needs cosy |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Quinolin-2-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | 17 | |
|---|---|---|---|---|---|---|
| 12 | 7.45 | 7.851 | 9.663 | 0 | 0 | 0 |
| 13 | 0 | 7.721 | 0 | 8.831 | 0 | 0 |
| 14 | 0 | 0 | 8.196 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.623 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.834 | 9.036 |
| 17 | 0 | 0 | 0 | 0 | 0 | 6.992 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.9846 | 0.871667 | standard |
| 6.99967 | 0.871669 | standard |
| 7.43535 | 0.415265 | standard |
| 7.44851 | 0.55243 | standard |
| 7.45122 | 0.535848 | standard |
| 7.4644 | 0.475049 | standard |
| 7.61508 | 0.746859 | standard |
| 7.62975 | 1.00079 | standard |
| 7.70757 | 0.53683 | standard |
| 7.72105 | 0.688654 | standard |
| 7.73533 | 0.366799 | standard |
| 7.82649 | 0.87224 | standard |
| 7.84156 | 0.872122 | standard |
| 8.18797 | 0.888184 | standard |
| 8.20409 | 0.85229 | standard |
| 6.86444 | 0.246403 | standard |
| 7.09037 | 0.416572 | standard |
| 7.17528 | 0.0740241 | standard |
| 7.23926 | 0.0618531 | standard |
| 7.33557 | 0.0991731 | standard |
| 7.38599 | 0.13163 | standard |
| 7.54872 | 0.290043 | standard |
| 7.63755 | 1.0 | standard |
| 7.73252 | 0.594637 | standard |
| 7.96231 | 0.28827 | standard |
| 8.10875 | 0.27896 | standard |
| 8.26559 | 0.080489 | standard |
| 8.32941 | 0.170487 | standard |
| 6.91024 | 0.338038 | standard |
| 7.06086 | 0.478045 | standard |
| 7.28334 | 0.076697 | standard |
| 7.31024 | 0.079833 | standard |
| 7.39096 | 0.138725 | standard |
| 7.41694 | 0.202573 | standard |
| 7.54179 | 0.336659 | standard |
| 7.56803 | 0.340807 | standard |
| 7.64697 | 1.0 | standard |
| 7.76451 | 0.6355 | standard |
| 7.91551 | 0.364738 | standard |
| 8.05025 | 0.048092 | standard |
| 8.13082 | 0.428801 | standard |
| 8.28173 | 0.275076 | standard |
| 6.93205 | 0.387228 | standard |
| 7.04489 | 0.501703 | standard |
| 7.33066 | 0.101271 | standard |
| 7.34261 | 0.102936 | standard |
| 7.42815 | 0.213393 | standard |
| 7.54646 | 0.353123 | standard |
| 7.65827 | 1.0 | standard |
| 7.74399 | 0.29913 | standard |
| 7.78087 | 0.555423 | standard |
| 7.85007 | 0.10991 | standard |
| 7.89417 | 0.398139 | standard |
| 8.0503 | 0.0193721 | standard |
| 8.14305 | 0.494921 | standard |
| 8.259 | 0.351276 | standard |
| 6.93909 | 0.436635 | standard |
| 7.03943 | 0.54945 | standard |
| 7.3527 | 0.124828 | standard |
| 7.43082 | 0.239262 | standard |
| 7.53474 | 0.319775 | standard |
| 7.56141 | 0.224441 | standard |
| 7.6595 | 1.00001 | standard |
| 7.73869 | 0.322983 | standard |
| 7.78671 | 0.584632 | standard |
| 7.83287 | 0.128329 | standard |
| 7.88715 | 0.445842 | standard |
| 8.14783 | 0.548127 | standard |
| 8.25186 | 0.410192 | standard |
| 6.94464 | 0.552691 | standard |
| 7.03497 | 0.67959 | standard |
| 7.36056 | 0.169066 | standard |
| 7.43268 | 0.306354 | standard |
| 7.44523 | 0.264078 | standard |
| 7.52661 | 0.3736 | standard |
| 7.56823 | 0.25242 | standard |
| 7.6558 | 1.0 | standard |
| 7.66205 | 0.99683 | standard |
| 7.73526 | 0.405741 | standard |
| 7.79128 | 0.715141 | standard |
| 7.88161 | 0.561896 | standard |
| 8.15196 | 0.681918 | standard |
| 8.24622 | 0.527515 | standard |
| 6.96903 | 0.690933 | standard |
| 7.01425 | 0.765112 | standard |
| 7.40518 | 0.291726 | standard |
| 7.44309 | 0.436595 | standard |
| 7.45252 | 0.398671 | standard |
| 7.49065 | 0.434124 | standard |
| 7.59646 | 0.421314 | standard |
| 7.64005 | 1.00003 | standard |
| 7.68629 | 0.624949 | standard |
| 7.72433 | 0.529085 | standard |
| 7.76767 | 0.223282 | standard |
| 7.81201 | 0.771934 | standard |
| 7.85723 | 0.693898 | standard |
| 8.1727 | 0.772247 | standard |
| 8.22072 | 0.683362 | standard |
| 6.97686 | 0.75387 | standard |
| 7.00701 | 0.807712 | standard |
| 7.42029 | 0.343471 | standard |
| 7.4462 | 0.490849 | standard |
| 7.45201 | 0.456581 | standard |
| 7.47804 | 0.448814 | standard |
| 7.60613 | 0.555085 | standard |
| 7.63544 | 1.00002 | standard |
| 7.69612 | 0.572718 | standard |
| 7.72231 | 0.594254 | standard |
| 7.75104 | 0.274297 | standard |
| 7.81925 | 0.810202 | standard |
| 7.8493 | 0.755439 | standard |
| 8.18024 | 0.81275 | standard |
| 8.21237 | 0.747859 | standard |
| 6.98083 | 0.797457 | standard |
| 7.00334 | 0.840029 | standard |
| 7.42782 | 0.377321 | standard |
| 7.44743 | 0.517661 | standard |
| 7.45168 | 0.49403 | standard |
| 7.47134 | 0.461162 | standard |
| 7.61072 | 0.644649 | standard |
| 7.63277 | 1.0 | standard |
| 7.70162 | 0.551501 | standard |
| 7.72161 | 0.6414 | standard |
| 7.74306 | 0.313975 | standard |
| 7.82282 | 0.841252 | standard |
| 7.84543 | 0.798293 | standard |
| 8.18406 | 0.843694 | standard |
| 8.2082 | 0.791935 | standard |
| 6.98311 | 0.832082 | standard |
| 7.00116 | 0.867528 | standard |
| 7.43233 | 0.399215 | standard |
| 7.44809 | 0.536181 | standard |
| 7.45144 | 0.516621 | standard |
| 7.46723 | 0.468996 | standard |
| 7.61339 | 0.705032 | standard |
| 7.63101 | 1.00012 | standard |
| 7.70514 | 0.542337 | standard |
| 7.72132 | 0.675727 | standard |
| 7.73835 | 0.344301 | standard |
| 7.8251 | 0.868352 | standard |
| 7.84315 | 0.83271 | standard |
| 8.18644 | 0.87036 | standard |
| 8.20568 | 0.827521 | standard |
| 6.9846 | 0.871664 | standard |
| 6.99967 | 0.871668 | standard |
| 7.43535 | 0.415264 | standard |
| 7.44851 | 0.552432 | standard |
| 7.45122 | 0.53585 | standard |
| 7.4644 | 0.475049 | standard |
| 7.61508 | 0.746856 | standard |
| 7.62975 | 1.00079 | standard |
| 7.70757 | 0.536831 | standard |
| 7.72105 | 0.688657 | standard |
| 7.73533 | 0.366797 | standard |
| 7.82649 | 0.872239 | standard |
| 7.84156 | 0.87212 | standard |
| 8.18797 | 0.888183 | standard |
| 8.20409 | 0.852287 | standard |
| 6.98569 | 0.888577 | standard |
| 6.99868 | 0.888579 | standard |
| 7.43748 | 0.435439 | standard |
| 7.44878 | 0.568563 | standard |
| 7.45109 | 0.542582 | standard |
| 7.46242 | 0.470931 | standard |
| 7.61627 | 0.778791 | standard |
| 7.62886 | 1.00108 | standard |
| 7.70935 | 0.532957 | standard |
| 7.72104 | 0.719925 | standard |
| 7.73315 | 0.384225 | standard |
| 7.82758 | 0.889159 | standard |
| 7.84047 | 0.889084 | standard |
| 8.18912 | 0.887442 | standard |
| 8.2029 | 0.887439 | standard |
| 6.98618 | 0.893518 | standard |
| 6.99818 | 0.893519 | standard |
| 7.43833 | 0.438185 | standard |
| 7.44887 | 0.568823 | standard |
| 7.45106 | 0.543796 | standard |
| 7.46163 | 0.471964 | standard |
| 7.61676 | 0.789937 | standard |
| 7.62851 | 1.0 | standard |
| 7.71005 | 0.530044 | standard |
| 7.72101 | 0.725395 | standard |
| 7.73226 | 0.390628 | standard |
| 7.82798 | 0.893708 | standard |
| 7.84008 | 0.893648 | standard |
| 8.18951 | 0.892115 | standard |
| 8.2024 | 0.892112 | standard |
| 6.98658 | 0.89947 | standard |
| 6.99788 | 0.899471 | standard |
| 7.43907 | 0.442665 | standard |
| 7.44896 | 0.571236 | standard |
| 7.45102 | 0.548304 | standard |
| 7.46093 | 0.47386 | standard |
| 7.61716 | 0.801367 | standard |
| 7.62821 | 1.0 | standard |
| 7.71074 | 0.528891 | standard |
| 7.72095 | 0.723848 | standard |
| 7.73156 | 0.3969 | standard |
| 7.82837 | 0.89979 | standard |
| 7.83968 | 0.89974 | standard |
| 8.18991 | 0.898141 | standard |
| 8.20201 | 0.898139 | standard |
| 6.98718 | 0.909687 | standard |
| 6.99719 | 0.909688 | standard |
| 7.44031 | 0.448373 | standard |
| 7.4491 | 0.576136 | standard |
| 7.45094 | 0.554708 | standard |
| 7.45974 | 0.47702 | standard |
| 7.6178 | 0.822426 | standard |
| 7.62762 | 1.0 | standard |
| 7.71183 | 0.526685 | standard |
| 7.72083 | 0.711938 | standard |
| 7.73027 | 0.408038 | standard |
| 7.82897 | 0.909729 | standard |
| 7.83908 | 0.909694 | standard |
| 8.1906 | 0.908346 | standard |
| 8.20131 | 0.908344 | standard |
| 6.98747 | 0.914005 | standard |
| 6.99699 | 0.914006 | standard |
| 7.44086 | 0.452156 | standard |
| 7.4492 | 0.586381 | standard |
| 7.45083 | 0.566613 | standard |
| 7.45925 | 0.478307 | standard |
| 7.6181 | 0.830894 | standard |
| 7.62742 | 1.0 | standard |
| 7.71223 | 0.525621 | standard |
| 7.72083 | 0.724406 | standard |
| 7.72978 | 0.412649 | standard |
| 7.82927 | 0.914233 | standard |
| 7.83879 | 0.914202 | standard |
| 8.1909 | 0.912786 | standard |
| 8.20101 | 0.912785 | standard |
| 6.98767 | 0.917937 | standard |
| 6.99669 | 0.917937 | standard |
| 7.4413 | 0.453503 | standard |
| 7.44924 | 0.58274 | standard |
| 7.45085 | 0.56488 | standard |
| 7.4588 | 0.480682 | standard |
| 7.6184 | 0.838634 | standard |
| 7.62722 | 1.0 | standard |
| 7.71263 | 0.524748 | standard |
| 7.72083 | 0.739687 | standard |
| 7.72928 | 0.41695 | standard |
| 7.82947 | 0.918142 | standard |
| 7.83849 | 0.918116 | standard |
| 8.1911 | 0.916449 | standard |
| 8.20082 | 0.916448 | standard |
| 6.98876 | 0.935498 | standard |
| 6.9957 | 0.935498 | standard |
| 7.44333 | 0.466045 | standard |
| 7.44947 | 0.595598 | standard |
| 7.45067 | 0.580761 | standard |
| 7.45682 | 0.486492 | standard |
| 7.61949 | 0.873382 | standard |
| 7.62623 | 1.0 | standard |
| 7.71451 | 0.521294 | standard |
| 7.72076 | 0.743199 | standard |
| 7.7273 | 0.436289 | standard |
| 7.83056 | 0.935619 | standard |
| 7.8375 | 0.935607 | standard |
| 8.19219 | 0.934075 | standard |
| 8.19963 | 0.934074 | standard |