(2-Methyl-1,3-thiazol-4-yl)methylamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03272 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3 | |
| Note 1 | aromatic contaminant |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (2-Methyl-1,3-thiazol-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 | |
|---|---|---|---|---|---|---|
| 9 | 2.692 | -14.0 | -14.0 | 0 | 0 | 0 |
| 10 | 0 | 2.692 | -14.0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 2.692 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 4.237 | 11.9 | 0 |
| 13 | 0 | 0 | 0 | 0 | 4.23 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 7.442 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.69241 | 1.0 | standard |
| 4.2134 | 0.0123396 | standard |
| 4.23366 | 0.597817 | standard |
| 4.25392 | 0.0123365 | standard |
| 7.44214 | 0.333215 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.666602 | standard |
| 7.44214 | 0.333124 | standard |
| 2.69241 | 1.0 | standard |
| 4.23361 | 0.666536 | standard |
| 7.44214 | 0.333315 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.666355 | standard |
| 7.44214 | 0.333325 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.666255 | standard |
| 7.44214 | 0.33331 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.665865 | standard |
| 7.44214 | 0.333216 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.663734 | standard |
| 7.44214 | 0.333331 | standard |
| 2.69241 | 1.0 | standard |
| 4.23361 | 0.657813 | standard |
| 7.44214 | 0.333076 | standard |
| 2.69241 | 1.0 | standard |
| 4.23361 | 0.646432 | standard |
| 7.44214 | 0.333453 | standard |
| 2.69241 | 1.0 | standard |
| 4.23366 | 0.630552 | standard |
| 7.44214 | 0.333332 | standard |
| 2.69241 | 1.0 | standard |
| 4.21341 | 0.0123414 | standard |
| 4.23366 | 0.597897 | standard |
| 4.25392 | 0.0123404 | standard |
| 7.44214 | 0.333319 | standard |
| 2.69241 | 1.0 | standard |
| 4.21615 | 0.0148533 | standard |
| 4.23366 | 0.550002 | standard |
| 4.25116 | 0.0135285 | standard |
| 7.44214 | 0.333333 | standard |
| 2.69241 | 1.0 | standard |
| 4.21724 | 0.0161937 | standard |
| 4.23366 | 0.536121 | standard |
| 4.25009 | 0.0161937 | standard |
| 7.44214 | 0.333258 | standard |
| 2.69241 | 1.0 | standard |
| 4.21812 | 0.0175944 | standard |
| 4.23361 | 0.505567 | standard |
| 4.2491 | 0.0175944 | standard |
| 7.44214 | 0.333333 | standard |
| 2.69241 | 1.0 | standard |
| 4.2197 | 0.0205092 | standard |
| 4.23335 | 0.457585 | standard |
| 4.23397 | 0.457586 | standard |
| 4.24753 | 0.0204815 | standard |
| 7.44214 | 0.333333 | standard |
| 2.69241 | 1.0 | standard |
| 4.22039 | 0.0220566 | standard |
| 4.23307 | 0.419741 | standard |
| 4.23425 | 0.419741 | standard |
| 4.24693 | 0.0218427 | standard |
| 7.44214 | 0.333258 | standard |
| 2.69241 | 1.0 | standard |
| 4.22098 | 0.023625 | standard |
| 4.23304 | 0.409305 | standard |
| 4.23429 | 0.409305 | standard |
| 4.24634 | 0.023625 | standard |
| 7.44214 | 0.333328 | standard |
| 2.69241 | 1.0 | standard |
| 4.22355 | 0.0334267 | standard |
| 4.23271 | 0.343759 | standard |
| 4.23462 | 0.344139 | standard |
| 4.24377 | 0.0333847 | standard |
| 7.44214 | 0.333091 | standard |