(1-Methyl-1H-imidazol-2-yl)methanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.22488 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3 | |
| Note 1 | 14,15 missing (saturated?) |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (1-Methyl-1H-imidazol-2-yl)methanol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|---|---|
| 9 | 3.739 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 10 | 0 | 3.739 | -14.0 | 0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 3.739 | 0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.178 | 0.08 | 0 | 0 |
| 13 | 0 | 0 | 0 | 0 | 7.06 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 4.775 | -14.0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 0 | 4.775 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666664 | standard |
| 7.05963 | 0.3331 | standard |
| 7.17826 | 0.333099 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666978 | standard |
| 7.05985 | 0.346895 | standard |
| 7.17799 | 0.346938 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666823 | standard |
| 7.05967 | 0.339268 | standard |
| 7.17821 | 0.339263 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666694 | standard |
| 7.05964 | 0.336321 | standard |
| 7.17819 | 0.336427 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666729 | standard |
| 7.05964 | 0.335682 | standard |
| 7.17825 | 0.33568 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666714 | standard |
| 7.05964 | 0.335012 | standard |
| 7.1782 | 0.335149 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.66668 | standard |
| 7.05963 | 0.333105 | standard |
| 7.17821 | 0.333399 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666585 | standard |
| 7.05963 | 0.332814 | standard |
| 7.17826 | 0.332814 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.66667 | standard |
| 7.05963 | 0.332304 | standard |
| 7.17821 | 0.332957 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666589 | standard |
| 7.05963 | 0.333159 | standard |
| 7.17821 | 0.332547 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666668 | standard |
| 7.05963 | 0.333102 | standard |
| 7.17826 | 0.333102 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666668 | standard |
| 7.05963 | 0.332976 | standard |
| 7.17826 | 0.332976 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666622 | standard |
| 7.05963 | 0.33289 | standard |
| 7.17826 | 0.33289 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666648 | standard |
| 7.05963 | 0.332665 | standard |
| 7.17826 | 0.332665 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666802 | standard |
| 7.05963 | 0.332756 | standard |
| 7.17826 | 0.332756 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666725 | standard |
| 7.05963 | 0.332636 | standard |
| 7.17826 | 0.332636 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666489 | standard |
| 7.05963 | 0.332403 | standard |
| 7.17826 | 0.332404 | standard |
| 3.73922 | 1.0 | standard |
| 4.77502 | 0.666667 | standard |
| 7.05963 | 0.331921 | standard |
| 7.17826 | 0.331921 | standard |