6-Chloro-2,3-dimethylquinoxaline
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03066 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H9ClN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3 | |
| Note 1 | 14,15,16?17,18,19 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Chloro-2,3-dimethylquinoxaline | 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 | 22 | |
|---|---|---|---|---|---|---|---|---|---|
| 14 | 2.718 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 2.718 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 2.718 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 2.711 | -14.0 | -14.0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 2.711 | -14.0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 2.711 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 7.77 | 8.543 | 1.716 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.93 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.998 |
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 |
|---|---|---|
| 2.71077 | 1.0001 | standard |
| 2.71818 | 0.999604 | standard |
| 7.76125 | 0.0940614 | standard |
| 7.76369 | 0.0948109 | standard |
| 7.77552 | 0.111544 | standard |
| 7.77796 | 0.110948 | standard |
| 7.92349 | 0.174777 | standard |
| 7.93767 | 0.147871 | standard |
| 7.99731 | 0.201185 | standard |
| 7.99974 | 0.201104 | standard |
| 2.71447 | 1.0 | standard |
| 7.61954 | 0.0158051 | standard |
| 7.84404 | 0.165568 | standard |
| 7.87469 | 0.190118 | standard |
| 7.98816 | 0.137951 | standard |
| 2.71447 | 1.00001 | standard |
| 7.66328 | 0.0219621 | standard |
| 7.67845 | 0.0224171 | standard |
| 7.82369 | 0.116119 | standard |
| 7.88624 | 0.156057 | standard |
| 7.99041 | 0.134256 | standard |
| 2.71447 | 1.00001 | standard |
| 7.69249 | 0.027708 | standard |
| 7.709 | 0.0283961 | standard |
| 7.81478 | 0.103324 | standard |
| 7.8931 | 0.145869 | standard |
| 7.99334 | 0.157968 | standard |
| 2.71447 | 1.00001 | standard |
| 7.70241 | 0.030956 | standard |
| 7.71704 | 0.0327653 | standard |
| 7.79726 | 0.0879802 | standard |
| 7.81158 | 0.0991473 | standard |
| 7.89586 | 0.143926 | standard |
| 7.9909 | 0.171172 | standard |
| 2.71448 | 1.00001 | standard |
| 7.70996 | 0.034079 | standard |
| 7.72332 | 0.035968 | standard |
| 7.79533 | 0.0880861 | standard |
| 7.80855 | 0.0964342 | standard |
| 7.89828 | 0.142794 | standard |
| 7.99015 | 0.15901 | standard |
| 8.00438 | 0.127315 | standard |
| 2.71173 | 1.0 | standard |
| 2.71722 | 1.0 | standard |
| 7.74224 | 0.0607142 | standard |
| 7.74929 | 0.0621458 | standard |
| 7.78497 | 0.10023 | standard |
| 7.79201 | 0.102994 | standard |
| 7.9117 | 0.158997 | standard |
| 7.9544 | 0.0979718 | standard |
| 7.99506 | 0.162802 | standard |
| 8.00209 | 0.158459 | standard |
| 2.71098 | 0.999832 | standard |
| 2.71797 | 1.00005 | standard |
| 7.75208 | 0.0768737 | standard |
| 7.75682 | 0.0775185 | standard |
| 7.78052 | 0.108178 | standard |
| 7.78526 | 0.108389 | standard |
| 7.9173 | 0.169163 | standard |
| 7.94575 | 0.120616 | standard |
| 7.99621 | 0.182005 | standard |
| 8.00094 | 0.181345 | standard |
| 2.71083 | 0.999977 | standard |
| 2.71811 | 1.00006 | standard |
| 7.75671 | 0.0854215 | standard |
| 7.76031 | 0.086101 | standard |
| 7.77812 | 0.110567 | standard |
| 7.78171 | 0.11024 | standard |
| 7.92032 | 0.172987 | standard |
| 7.94164 | 0.133927 | standard |
| 7.99673 | 0.192069 | standard |
| 8.00032 | 0.192183 | standard |
| 2.71079 | 1.00027 | standard |
| 2.71816 | 0.999782 | standard |
| 7.75953 | 0.0912029 | standard |
| 7.76234 | 0.0918932 | standard |
| 7.77657 | 0.11208 | standard |
| 7.77939 | 0.111515 | standard |
| 7.92221 | 0.174202 | standard |
| 7.93926 | 0.142318 | standard |
| 7.99711 | 0.197908 | standard |
| 7.99999 | 0.198128 | standard |
| 2.71077 | 1.00005 | standard |
| 2.71818 | 1.0001 | standard |
| 7.76125 | 0.0939973 | standard |
| 7.76369 | 0.0947169 | standard |
| 7.77552 | 0.111454 | standard |
| 7.77796 | 0.110904 | standard |
| 7.92349 | 0.174728 | standard |
| 7.93767 | 0.147592 | standard |
| 7.99731 | 0.201258 | standard |
| 7.99974 | 0.201124 | standard |
| 2.71076 | 1.00001 | standard |
| 2.71818 | 1.00004 | standard |
| 7.76263 | 0.0975018 | standard |
| 7.7646 | 0.098257 | standard |
| 7.77482 | 0.112859 | standard |
| 7.77678 | 0.112386 | standard |
| 7.92439 | 0.174711 | standard |
| 7.93658 | 0.151654 | standard |
| 7.99747 | 0.203042 | standard |
| 7.99958 | 0.203061 | standard |
| 2.71076 | 0.999808 | standard |
| 2.71819 | 1.00003 | standard |
| 7.7631 | 0.0976197 | standard |
| 7.76502 | 0.0984104 | standard |
| 7.77449 | 0.112003 | standard |
| 7.77641 | 0.111268 | standard |
| 7.92478 | 0.1746 | standard |
| 7.93619 | 0.15294 | standard |
| 7.99757 | 0.204715 | standard |
| 7.99949 | 0.204838 | standard |
| 2.71076 | 0.999945 | standard |
| 2.71819 | 1.00002 | standard |
| 7.76347 | 0.0978302 | standard |
| 7.76534 | 0.0985334 | standard |
| 7.77417 | 0.110936 | standard |
| 7.77604 | 0.110283 | standard |
| 7.92508 | 0.174357 | standard |
| 7.93579 | 0.154507 | standard |
| 7.99767 | 0.207786 | standard |
| 7.99939 | 0.207828 | standard |
| 2.71076 | 0.999837 | standard |
| 2.71819 | 1.00001 | standard |
| 7.76426 | 0.100982 | standard |
| 7.76584 | 0.101612 | standard |
| 7.77377 | 0.111056 | standard |
| 7.77535 | 0.110614 | standard |
| 7.92568 | 0.173166 | standard |
| 7.9351 | 0.157465 | standard |
| 7.99774 | 0.20754 | standard |
| 7.99931 | 0.207442 | standard |
| 2.71076 | 1.00001 | standard |
| 2.71819 | 0.999762 | standard |
| 7.76455 | 0.101447 | standard |
| 7.76604 | 0.102252 | standard |
| 7.77357 | 0.111003 | standard |
| 7.77506 | 0.110416 | standard |
| 7.92587 | 0.172817 | standard |
| 7.9349 | 0.158365 | standard |
| 7.99777 | 0.205708 | standard |
| 7.99933 | 0.206176 | standard |
| 2.71076 | 0.999421 | standard |
| 2.71819 | 1.00001 | standard |
| 7.76484 | 0.102062 | standard |
| 7.76625 | 0.102752 | standard |
| 7.77336 | 0.111166 | standard |
| 7.77477 | 0.110643 | standard |
| 7.92607 | 0.172208 | standard |
| 7.9346 | 0.159153 | standard |
| 7.99783 | 0.208682 | standard |
| 7.99923 | 0.208664 | standard |
| 2.71076 | 0.999401 | standard |
| 2.71819 | 1.0 | standard |
| 7.76598 | 0.101817 | standard |
| 7.76718 | 0.102622 | standard |
| 7.77264 | 0.110812 | standard |
| 7.7737 | 0.110044 | standard |
| 7.92706 | 0.171198 | standard |
| 7.93361 | 0.162799 | standard |
| 7.998 | 0.210263 | standard |
| 7.99906 | 0.210288 | standard |