(1-Methyl-1H-imidazol-4-yl)methylamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04220 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3 | |
| Note 1 | 14?15 | |
| Note 2 | 12,13 missing or @4.1 low intensity |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (1-Methyl-1H-imidazol-4-yl)methylamine | 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 | 3.693 | -14.0 | 6.72 | 0 | 0 | 0 | 0 |
| 10 | 0 | 3.693 | 6.72 | 0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 3.693 | 0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 4.103 | -14.0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 0 | 4.103 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 7.197 | 0.4 |
| 15 | 0 | 0 | 0 | 0 | 0 | 0 | 7.616 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.69291 | 1.00002 | standard |
| 4.10303 | 0.666873 | standard |
| 7.1968 | 0.319568 | standard |
| 7.61646 | 0.319568 | standard |
| 3.69291 | 1.0 | standard |
| 4.10302 | 0.668714 | standard |
| 7.19683 | 0.320901 | standard |
| 7.61644 | 0.320881 | standard |
| 3.69291 | 1.0 | standard |
| 4.10303 | 0.667581 | standard |
| 7.1968 | 0.320781 | standard |
| 7.61646 | 0.320773 | standard |
| 3.69291 | 1.0 | standard |
| 4.10303 | 0.667184 | standard |
| 7.1968 | 0.320332 | standard |
| 7.61646 | 0.320327 | standard |
| 3.69291 | 1.0 | standard |
| 4.10303 | 0.667077 | standard |
| 7.1968 | 0.320494 | standard |
| 7.61646 | 0.32049 | standard |
| 3.69291 | 1.0 | standard |
| 4.10303 | 0.667001 | standard |
| 7.19685 | 0.320784 | standard |
| 7.61641 | 0.320781 | standard |
| 3.69291 | 1.0 | standard |
| 4.10303 | 0.666771 | standard |
| 7.19685 | 0.320741 | standard |
| 7.61641 | 0.32074 | standard |
| 3.69291 | 1.00001 | standard |
| 4.10303 | 0.666753 | standard |
| 7.1968 | 0.321344 | standard |
| 7.61641 | 0.319504 | standard |
| 3.69291 | 1.00001 | standard |
| 4.10303 | 0.666775 | standard |
| 7.19685 | 0.32076 | standard |
| 7.61641 | 0.320759 | standard |
| 3.69291 | 1.00002 | standard |
| 4.10303 | 0.666817 | standard |
| 7.19685 | 0.320782 | standard |
| 7.61641 | 0.320782 | standard |
| 3.69291 | 1.00002 | standard |
| 4.10303 | 0.666873 | standard |
| 7.1968 | 0.319569 | standard |
| 7.61646 | 0.319569 | standard |
| 3.69291 | 1.00003 | standard |
| 4.10303 | 0.666942 | standard |
| 7.19685 | 0.319603 | standard |
| 7.61641 | 0.319603 | standard |
| 3.69291 | 1.00004 | standard |
| 4.10303 | 0.66698 | standard |
| 7.1968 | 0.322337 | standard |
| 7.61646 | 0.322337 | standard |
| 3.69291 | 1.00004 | standard |
| 4.10303 | 0.667022 | standard |
| 7.1968 | 0.320879 | standard |
| 7.61646 | 0.320878 | standard |
| 3.69291 | 1.00005 | standard |
| 4.10303 | 0.667113 | standard |
| 7.19685 | 0.323252 | standard |
| 7.61641 | 0.323252 | standard |
| 3.69291 | 1.00006 | standard |
| 4.10303 | 0.667163 | standard |
| 7.19685 | 0.32214 | standard |
| 7.61641 | 0.32214 | standard |
| 3.69291 | 1.00006 | standard |
| 4.10303 | 0.667215 | standard |
| 7.19685 | 0.320976 | standard |
| 7.61641 | 0.320976 | standard |
| 3.69291 | 1.0001 | standard |
| 4.10303 | 0.667584 | standard |
| 7.1968 | 0.321728 | standard |
| 7.61646 | 0.321728 | standard |