Quinoxaline
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01725 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H | |
| Note 1 | 13,14?11,12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Quinoxaline | 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 | 15 | 16 | |
|---|---|---|---|---|---|---|
| 11 | 8.146 | 7.0 | 8.646 | 1.5 | 0 | 0 |
| 12 | 0 | 8.146 | 1.5 | 8.646 | 0 | 0 |
| 13 | 0 | 0 | 7.939 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 7.939 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 8.44 | 7.0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 8.44 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.92513 | 0.0601886 | standard |
| 7.93047 | 0.255743 | standard |
| 7.93641 | 0.252074 | standard |
| 7.94133 | 0.26318 | standard |
| 7.94727 | 0.294213 | standard |
| 7.95273 | 0.0727419 | standard |
| 8.13225 | 0.073261 | standard |
| 8.13766 | 0.294209 | standard |
| 8.1436 | 0.262748 | standard |
| 8.14857 | 0.252159 | standard |
| 8.15452 | 0.256286 | standard |
| 8.15984 | 0.0600966 | standard |
| 8.9221 | 1.0 | standard |
| 7.75988 | 0.0759061 | standard |
| 7.88102 | 0.140333 | standard |
| 8.01721 | 0.795129 | standard |
| 8.06773 | 0.795001 | standard |
| 8.20398 | 0.140987 | standard |
| 8.32515 | 0.0771371 | standard |
| 8.9221 | 1.0 | standard |
| 7.82978 | 0.110489 | standard |
| 7.89686 | 0.157114 | standard |
| 7.92064 | 0.156542 | standard |
| 7.9561 | 0.218414 | standard |
| 8.0005 | 0.497507 | standard |
| 8.04267 | 0.348467 | standard |
| 8.08443 | 0.497571 | standard |
| 8.12884 | 0.218536 | standard |
| 8.16423 | 0.156582 | standard |
| 8.18822 | 0.157196 | standard |
| 8.25515 | 0.110903 | standard |
| 8.9221 | 1.0 | standard |
| 7.86155 | 0.13758 | standard |
| 7.90782 | 0.19095 | standard |
| 7.95081 | 0.211217 | standard |
| 7.98881 | 0.420741 | standard |
| 8.02015 | 0.16945 | standard |
| 8.06508 | 0.169204 | standard |
| 8.09623 | 0.420842 | standard |
| 8.13411 | 0.211512 | standard |
| 8.17712 | 0.191106 | standard |
| 8.22339 | 0.137766 | standard |
| 8.9221 | 1.0 | standard |
| 7.87156 | 0.149488 | standard |
| 7.91235 | 0.201137 | standard |
| 7.94897 | 0.21569 | standard |
| 7.9845 | 0.401662 | standard |
| 8.01291 | 0.146137 | standard |
| 8.07183 | 0.146209 | standard |
| 8.10049 | 0.402591 | standard |
| 8.13596 | 0.215839 | standard |
| 8.17258 | 0.201231 | standard |
| 8.21342 | 0.149336 | standard |
| 8.9221 | 1.0 | standard |
| 7.87933 | 0.15926 | standard |
| 7.91589 | 0.208385 | standard |
| 7.94732 | 0.222685 | standard |
| 7.98082 | 0.388621 | standard |
| 8.00792 | 0.132235 | standard |
| 8.07703 | 0.132252 | standard |
| 8.10411 | 0.388646 | standard |
| 8.1376 | 0.222657 | standard |
| 8.16915 | 0.208294 | standard |
| 8.20566 | 0.159666 | standard |
| 8.9221 | 1.0 | standard |
| 7.91153 | 0.214863 | standard |
| 7.92947 | 0.235649 | standard |
| 7.94423 | 0.259055 | standard |
| 7.96212 | 0.333726 | standard |
| 7.97788 | 0.091253 | standard |
| 8.10709 | 0.091595 | standard |
| 8.12282 | 0.33376 | standard |
| 8.1407 | 0.259072 | standard |
| 8.15546 | 0.235666 | standard |
| 8.17341 | 0.214874 | standard |
| 8.9221 | 1.0 | standard |
| 7.91091 | 0.0553701 | standard |
| 7.92124 | 0.235005 | standard |
| 7.93318 | 0.24438 | standard |
| 7.94307 | 0.263431 | standard |
| 7.95494 | 0.31586 | standard |
| 7.96569 | 0.0814881 | standard |
| 8.11929 | 0.081866 | standard |
| 8.13 | 0.315875 | standard |
| 8.14187 | 0.263272 | standard |
| 8.1518 | 0.243879 | standard |
| 8.1637 | 0.235096 | standard |
| 8.17417 | 0.0549892 | standard |
| 8.9221 | 1.0 | standard |
| 7.91801 | 0.057442 | standard |
| 7.92592 | 0.245356 | standard |
| 7.9349 | 0.24833 | standard |
| 7.94227 | 0.263536 | standard |
| 7.95123 | 0.304472 | standard |
| 7.95924 | 0.0774211 | standard |
| 8.12572 | 0.0772912 | standard |
| 8.13381 | 0.304774 | standard |
| 8.14266 | 0.26344 | standard |
| 8.15014 | 0.247955 | standard |
| 8.15906 | 0.246096 | standard |
| 8.16699 | 0.057511 | standard |
| 8.9221 | 1.0 | standard |
| 7.92231 | 0.0593186 | standard |
| 7.92864 | 0.251182 | standard |
| 7.93583 | 0.250314 | standard |
| 7.94178 | 0.263153 | standard |
| 7.9489 | 0.297515 | standard |
| 7.95534 | 0.0751183 | standard |
| 8.12965 | 0.0749579 | standard |
| 8.13608 | 0.29812 | standard |
| 8.14326 | 0.262962 | standard |
| 8.14921 | 0.250694 | standard |
| 8.15629 | 0.25163 | standard |
| 8.16267 | 0.0590017 | standard |
| 8.9221 | 1.0 | standard |
| 7.92513 | 0.0601896 | standard |
| 7.93047 | 0.255744 | standard |
| 7.93641 | 0.252075 | standard |
| 7.94133 | 0.263182 | standard |
| 7.94727 | 0.294214 | standard |
| 7.95273 | 0.072743 | standard |
| 8.13225 | 0.0732629 | standard |
| 8.13766 | 0.29421 | standard |
| 8.1436 | 0.26275 | standard |
| 8.14857 | 0.25216 | standard |
| 8.15452 | 0.256287 | standard |
| 8.15984 | 0.0600976 | standard |
| 8.9221 | 1.0 | standard |
| 7.92716 | 0.061183 | standard |
| 7.9317 | 0.25865 | standard |
| 7.93686 | 0.253012 | standard |
| 7.94108 | 0.262834 | standard |
| 7.94618 | 0.291151 | standard |
| 7.95077 | 0.072378 | standard |
| 8.1342 | 0.0724768 | standard |
| 8.1388 | 0.292079 | standard |
| 8.1439 | 0.261665 | standard |
| 8.14818 | 0.253121 | standard |
| 8.15323 | 0.259225 | standard |
| 8.15783 | 0.0607298 | standard |
| 8.9221 | 1.0 | standard |
| 7.92792 | 0.0612649 | standard |
| 7.9322 | 0.259951 | standard |
| 7.93695 | 0.252758 | standard |
| 7.94099 | 0.261739 | standard |
| 7.94574 | 0.290872 | standard |
| 7.95006 | 0.0717321 | standard |
| 8.13497 | 0.0717813 | standard |
| 8.13929 | 0.291013 | standard |
| 8.14405 | 0.262788 | standard |
| 8.14798 | 0.253865 | standard |
| 8.15274 | 0.2601 | standard |
| 8.15701 | 0.0613175 | standard |
| 8.9221 | 1.0 | standard |
| 7.9287 | 0.0617265 | standard |
| 7.93269 | 0.260958 | standard |
| 7.93715 | 0.253564 | standard |
| 7.94089 | 0.261962 | standard |
| 7.94534 | 0.289947 | standard |
| 7.94937 | 0.0715355 | standard |
| 8.13566 | 0.0715535 | standard |
| 8.13969 | 0.290004 | standard |
| 8.14415 | 0.262456 | standard |
| 8.14783 | 0.254142 | standard |
| 8.15234 | 0.260642 | standard |
| 8.15634 | 0.0616759 | standard |
| 8.9221 | 1.0 | standard |
| 7.92986 | 0.0632796 | standard |
| 7.93338 | 0.262617 | standard |
| 7.93734 | 0.254605 | standard |
| 7.94069 | 0.260524 | standard |
| 7.94465 | 0.288183 | standard |
| 7.94819 | 0.0703654 | standard |
| 8.13673 | 0.0697034 | standard |
| 8.14033 | 0.288714 | standard |
| 8.14429 | 0.261571 | standard |
| 8.14759 | 0.255238 | standard |
| 8.15155 | 0.262635 | standard |
| 8.15515 | 0.0627211 | standard |
| 8.9221 | 1.0 | standard |
| 7.93034 | 0.0634351 | standard |
| 7.93368 | 0.263167 | standard |
| 7.93744 | 0.25492 | standard |
| 7.94059 | 0.260511 | standard |
| 7.94435 | 0.287382 | standard |
| 7.94771 | 0.0701451 | standard |
| 8.13721 | 0.0695105 | standard |
| 8.14063 | 0.288371 | standard |
| 8.14434 | 0.260966 | standard |
| 8.14749 | 0.254993 | standard |
| 8.15125 | 0.263118 | standard |
| 8.15467 | 0.0628297 | standard |
| 8.9221 | 1.0 | standard |
| 7.93076 | 0.0632284 | standard |
| 7.93398 | 0.263747 | standard |
| 7.93754 | 0.254969 | standard |
| 7.94054 | 0.260835 | standard |
| 7.94411 | 0.287392 | standard |
| 7.94733 | 0.0695008 | standard |
| 8.13765 | 0.0696161 | standard |
| 8.14088 | 0.286838 | standard |
| 8.14444 | 0.26102 | standard |
| 8.14739 | 0.255715 | standard |
| 8.15096 | 0.263778 | standard |
| 8.15423 | 0.0625175 | standard |
| 8.9221 | 1.0 | standard |
| 7.93268 | 0.0635205 | standard |
| 7.93521 | 0.269576 | standard |
| 7.93793 | 0.256728 | standard |
| 7.94025 | 0.259421 | standard |
| 7.94297 | 0.281477 | standard |
| 7.94545 | 0.0684575 | standard |
| 8.13947 | 0.0674992 | standard |
| 8.14201 | 0.282485 | standard |
| 8.14474 | 0.258465 | standard |
| 8.14705 | 0.257675 | standard |
| 8.14977 | 0.268615 | standard |
| 8.15224 | 0.0644491 | standard |
| 8.9221 | 1.0 | standard |