4-Methylimidazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.06768 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6) | |
| Note 1 | 10?11 | |
| Note 2 | one is broad |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Methylimidazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 7 | 8 | 9 | 10 | 11 | |
|---|---|---|---|---|---|
| 7 | 2.289 | -14.0 | -14.0 | 0 | 0 |
| 8 | 0 | 2.289 | -14.0 | 0 | 0 |
| 9 | 0 | 0 | 2.289 | 0 | 0 |
| 10 | 0 | 0 | 0 | 7.059 | 2.1 |
| 11 | 0 | 0 | 0 | 0 | 8.267 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.28862 | 1.0 | standard |
| 7.05724 | 0.198738 | standard |
| 7.06044 | 0.198796 | standard |
| 8.26523 | 0.198803 | standard |
| 8.26843 | 0.198554 | standard |
| 2.28862 | 1.0 | standard |
| 7.03418 | 0.19306 | standard |
| 7.08266 | 0.203707 | standard |
| 8.243 | 0.203824 | standard |
| 8.29148 | 0.193245 | standard |
| 2.28862 | 1.0 | standard |
| 7.04241 | 0.195798 | standard |
| 7.07478 | 0.20057 | standard |
| 8.25088 | 0.200918 | standard |
| 8.28325 | 0.195334 | standard |
| 2.28862 | 1.0 | standard |
| 7.0466 | 0.197793 | standard |
| 7.0708 | 0.199188 | standard |
| 8.25487 | 0.199296 | standard |
| 8.27906 | 0.197841 | standard |
| 2.28862 | 1.0 | standard |
| 7.04796 | 0.198391 | standard |
| 7.0695 | 0.198114 | standard |
| 8.25616 | 0.198145 | standard |
| 8.2777 | 0.198414 | standard |
| 2.28862 | 1.0 | standard |
| 7.04907 | 0.198406 | standard |
| 7.0684 | 0.197589 | standard |
| 8.25725 | 0.198406 | standard |
| 8.27658 | 0.197587 | standard |
| 2.28862 | 1.0 | standard |
| 7.05392 | 0.196816 | standard |
| 7.06365 | 0.19707 | standard |
| 8.26201 | 0.197882 | standard |
| 8.27173 | 0.195999 | standard |
| 2.28862 | 1.0 | standard |
| 7.05557 | 0.197922 | standard |
| 7.06209 | 0.197187 | standard |
| 8.26356 | 0.197922 | standard |
| 8.27009 | 0.197189 | standard |
| 2.28862 | 1.0 | standard |
| 7.05641 | 0.198343 | standard |
| 7.06127 | 0.198341 | standard |
| 8.2644 | 0.198343 | standard |
| 8.26926 | 0.198341 | standard |
| 2.28862 | 1.0 | standard |
| 7.05686 | 0.197571 | standard |
| 7.06082 | 0.197577 | standard |
| 8.26485 | 0.197578 | standard |
| 8.26881 | 0.19758 | standard |
| 2.28862 | 1.0 | standard |
| 7.05724 | 0.198842 | standard |
| 7.06044 | 0.198862 | standard |
| 8.26523 | 0.19871 | standard |
| 8.26843 | 0.198836 | standard |
| 2.28862 | 1.0 | standard |
| 7.0574 | 0.196654 | standard |
| 7.06027 | 0.195771 | standard |
| 8.2654 | 0.19681 | standard |
| 8.26826 | 0.195801 | standard |
| 2.28862 | 1.0 | standard |
| 7.0575 | 0.196373 | standard |
| 7.06017 | 0.196763 | standard |
| 8.26549 | 0.196969 | standard |
| 8.26816 | 0.196875 | standard |
| 2.28862 | 1.0 | standard |
| 7.05759 | 0.197189 | standard |
| 7.06008 | 0.196808 | standard |
| 8.26558 | 0.197166 | standard |
| 8.26807 | 0.196638 | standard |
| 2.28862 | 1.0 | standard |
| 7.05779 | 0.199587 | standard |
| 7.05988 | 0.199548 | standard |
| 8.26578 | 0.199581 | standard |
| 8.26787 | 0.199396 | standard |
| 2.28862 | 1.0 | standard |
| 7.05777 | 0.196566 | standard |
| 7.0599 | 0.195902 | standard |
| 8.26576 | 0.196566 | standard |
| 8.26789 | 0.195902 | standard |
| 2.28862 | 1.0 | standard |
| 7.05788 | 0.198888 | standard |
| 7.05979 | 0.198455 | standard |
| 8.26587 | 0.198888 | standard |
| 8.26778 | 0.198456 | standard |
| 2.28862 | 1.0 | standard |
| 7.05805 | 0.196092 | standard |
| 7.05962 | 0.196092 | standard |
| 8.26604 | 0.19607 | standard |
| 8.26761 | 0.196088 | standard |