[2-(2-Thienyl)-1,3-thiazol-4-yl]methylamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02077 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2 | |
| Note 1 | 14?15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| [2-(2-Thienyl)-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
| 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|
| 13 | 7.2 | 5.388 | 3.978 | 0 | 0 | 0 |
| 14 | 0 | 7.63 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 7.701 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 4.289 | -14.0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 4.289 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 7.566 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.28901 | 1.0 | standard |
| 7.19262 | 0.136704 | standard |
| 7.1996 | 0.18057 | standard |
| 7.20128 | 0.182169 | standard |
| 7.20812 | 0.139664 | standard |
| 7.56622 | 0.500462 | standard |
| 7.62545 | 0.261617 | standard |
| 7.63435 | 0.25654 | standard |
| 7.69777 | 0.265248 | standard |
| 7.70437 | 0.265189 | standard |
| 4.28901 | 1.0 | standard |
| 7.0709 | 0.090233 | standard |
| 7.19933 | 0.176875 | standard |
| 7.30029 | 0.220238 | standard |
| 7.56914 | 0.843744 | standard |
| 7.65788 | 0.409409 | standard |
| 7.70136 | 0.311997 | standard |
| 7.75331 | 0.26702 | standard |
| 4.28901 | 1.0 | standard |
| 7.11662 | 0.102575 | standard |
| 7.18723 | 0.170692 | standard |
| 7.20294 | 0.182305 | standard |
| 7.2709 | 0.187863 | standard |
| 7.56816 | 0.621077 | standard |
| 7.67374 | 0.491648 | standard |
| 7.7356 | 0.258376 | standard |
| 4.28901 | 1.0 | standard |
| 7.13868 | 0.110236 | standard |
| 7.19127 | 0.174707 | standard |
| 7.2034 | 0.183605 | standard |
| 7.25467 | 0.174064 | standard |
| 7.56656 | 0.546043 | standard |
| 7.59792 | 0.370672 | standard |
| 7.67399 | 0.429919 | standard |
| 7.72672 | 0.256193 | standard |
| 4.28901 | 1.0 | standard |
| 7.14588 | 0.112957 | standard |
| 7.19256 | 0.175818 | standard |
| 7.20338 | 0.183742 | standard |
| 7.24913 | 0.169619 | standard |
| 7.5664 | 0.532151 | standard |
| 7.60162 | 0.343688 | standard |
| 7.66406 | 0.318541 | standard |
| 7.67888 | 0.356832 | standard |
| 7.72382 | 0.255945 | standard |
| 4.28901 | 1.0 | standard |
| 7.15149 | 0.115158 | standard |
| 7.19356 | 0.17679 | standard |
| 7.20333 | 0.183888 | standard |
| 7.24449 | 0.166223 | standard |
| 7.56632 | 0.523671 | standard |
| 7.6044 | 0.324944 | standard |
| 7.65907 | 0.28152 | standard |
| 7.68164 | 0.323893 | standard |
| 7.72148 | 0.255808 | standard |
| 4.28901 | 1.0 | standard |
| 7.17654 | 0.125921 | standard |
| 7.19757 | 0.180153 | standard |
| 7.20241 | 0.183681 | standard |
| 7.22314 | 0.151498 | standard |
| 7.56623 | 0.504336 | standard |
| 7.61683 | 0.280363 | standard |
| 7.64371 | 0.249655 | standard |
| 7.69136 | 0.279026 | standard |
| 7.7111 | 0.258366 | standard |
| 4.28901 | 1.0 | standard |
| 7.18463 | 0.131366 | standard |
| 7.19868 | 0.180706 | standard |
| 7.20184 | 0.184733 | standard |
| 7.21573 | 0.145165 | standard |
| 7.56622 | 0.501852 | standard |
| 7.62109 | 0.27125 | standard |
| 7.63901 | 0.250871 | standard |
| 7.69452 | 0.269777 | standard |
| 7.70771 | 0.263033 | standard |
| 4.28901 | 1.0 | standard |
| 7.18868 | 0.13417 | standard |
| 7.19912 | 0.178603 | standard |
| 7.20164 | 0.182417 | standard |
| 7.21198 | 0.143367 | standard |
| 7.56622 | 0.501007 | standard |
| 7.62327 | 0.267501 | standard |
| 7.63663 | 0.252288 | standard |
| 7.69619 | 0.267119 | standard |
| 7.70604 | 0.264529 | standard |
| 4.28901 | 1.0 | standard |
| 7.19105 | 0.136532 | standard |
| 7.19937 | 0.17992 | standard |
| 7.20142 | 0.181742 | standard |
| 7.20971 | 0.139719 | standard |
| 7.56622 | 0.500669 | standard |
| 7.62456 | 0.262423 | standard |
| 7.63524 | 0.256317 | standard |
| 7.69718 | 0.265579 | standard |
| 7.70506 | 0.265476 | standard |
| 4.28901 | 1.0 | standard |
| 7.19262 | 0.136704 | standard |
| 7.1996 | 0.180572 | standard |
| 7.20128 | 0.18217 | standard |
| 7.20812 | 0.139665 | standard |
| 7.56622 | 0.500462 | standard |
| 7.62545 | 0.261618 | standard |
| 7.63435 | 0.25654 | standard |
| 7.69777 | 0.265249 | standard |
| 7.70437 | 0.26519 | standard |
| 4.28901 | 1.0 | standard |
| 7.19371 | 0.13786 | standard |
| 7.19976 | 0.183248 | standard |
| 7.20109 | 0.183337 | standard |
| 7.20704 | 0.138211 | standard |
| 7.56622 | 0.500318 | standard |
| 7.62604 | 0.258725 | standard |
| 7.63376 | 0.258708 | standard |
| 7.69826 | 0.265339 | standard |
| 7.70387 | 0.265302 | standard |
| 4.28901 | 1.0 | standard |
| 7.1942 | 0.138248 | standard |
| 7.19972 | 0.182067 | standard |
| 7.20102 | 0.181968 | standard |
| 7.20664 | 0.137871 | standard |
| 7.56622 | 0.500277 | standard |
| 7.62624 | 0.258619 | standard |
| 7.63346 | 0.258605 | standard |
| 7.69846 | 0.265409 | standard |
| 7.70368 | 0.265379 | standard |
| 4.28901 | 1.0 | standard |
| 7.1946 | 0.138099 | standard |
| 7.1998 | 0.181294 | standard |
| 7.20105 | 0.181294 | standard |
| 7.20625 | 0.138099 | standard |
| 7.56622 | 0.500243 | standard |
| 7.62654 | 0.258671 | standard |
| 7.63327 | 0.258659 | standard |
| 7.69856 | 0.264648 | standard |
| 7.70358 | 0.264623 | standard |
| 4.28901 | 1.0 | standard |
| 7.19529 | 0.138298 | standard |
| 7.19986 | 0.181366 | standard |
| 7.20098 | 0.181242 | standard |
| 7.20566 | 0.137845 | standard |
| 7.56622 | 0.500192 | standard |
| 7.62683 | 0.258448 | standard |
| 7.63287 | 0.258441 | standard |
| 7.69885 | 0.264805 | standard |
| 7.70328 | 0.264787 | standard |
| 4.28901 | 1.0 | standard |
| 7.19549 | 0.137681 | standard |
| 7.19996 | 0.181859 | standard |
| 7.20099 | 0.181983 | standard |
| 7.20536 | 0.138151 | standard |
| 7.56622 | 0.500172 | standard |
| 7.62703 | 0.258639 | standard |
| 7.63267 | 0.258632 | standard |
| 7.69895 | 0.26455 | standard |
| 7.70319 | 0.264535 | standard |
| 4.28901 | 1.0 | standard |
| 7.19578 | 0.138167 | standard |
| 7.19996 | 0.183415 | standard |
| 7.20089 | 0.183415 | standard |
| 7.20506 | 0.138167 | standard |
| 7.56622 | 0.500155 | standard |
| 7.62713 | 0.258365 | standard |
| 7.63257 | 0.258359 | standard |
| 7.69905 | 0.26512 | standard |
| 7.70299 | 0.265107 | standard |
| 4.28901 | 1.0 | standard |
| 7.19687 | 0.137941 | standard |
| 7.2001 | 0.181612 | standard |
| 7.20085 | 0.181612 | standard |
| 7.20408 | 0.137942 | standard |
| 7.56622 | 0.500092 | standard |
| 7.62782 | 0.258781 | standard |
| 7.63188 | 0.258778 | standard |
| 7.69954 | 0.264854 | standard |
| 7.70259 | 0.264849 | standard |