(2-Thien-2-ylpyrimidin-5-yl)methanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.12088 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8N2OS/c12-6-7-4-10-9(11-5-7)8-2-1-3-13-8/h1-5,12H,6H2 | |
| Note 1 | 19,20 missing (saturated?) | |
| Note 2 | 15?16 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (2-Thien-2-ylpyrimidin-5-yl)methanol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|
| 14 | 7.266 | 5.264 | 4.272 | 0 | 0 | 0 | 0 |
| 15 | 0 | 7.708 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 7.98 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 8.749 | 1.5 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 8.749 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 4.089 | 11.11 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 4.081 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.06609 | 0.0268532 | standard |
| 4.08528 | 0.783535 | standard |
| 4.10457 | 0.0267798 | standard |
| 7.25838 | 0.137281 | standard |
| 7.26628 | 0.214404 | standard |
| 7.27419 | 0.137902 | standard |
| 7.7041 | 0.25946 | standard |
| 7.71281 | 0.258855 | standard |
| 7.97638 | 0.262972 | standard |
| 7.98348 | 0.262971 | standard |
| 8.74902 | 1.0 | standard |
| 4.08533 | 0.998918 | standard |
| 7.13571 | 0.0926892 | standard |
| 7.26008 | 0.201477 | standard |
| 7.37025 | 0.202851 | standard |
| 7.65266 | 0.332047 | standard |
| 7.78303 | 0.201212 | standard |
| 7.93179 | 0.304378 | standard |
| 8.03595 | 0.232216 | standard |
| 8.74902 | 1.0 | standard |
| 4.08533 | 0.999144 | standard |
| 7.18161 | 0.105152 | standard |
| 7.26389 | 0.205981 | standard |
| 7.33905 | 0.178918 | standard |
| 7.66901 | 0.308474 | standard |
| 7.75635 | 0.214684 | standard |
| 7.94661 | 0.290062 | standard |
| 8.01672 | 0.24088 | standard |
| 8.74902 | 1.0 | standard |
| 4.08528 | 0.99893 | standard |
| 7.2038 | 0.112271 | standard |
| 7.265 | 0.20838 | standard |
| 7.32213 | 0.167672 | standard |
| 7.67807 | 0.296342 | standard |
| 7.74361 | 0.225819 | standard |
| 7.95451 | 0.283176 | standard |
| 8.00733 | 0.247351 | standard |
| 8.74902 | 1.0 | standard |
| 4.08533 | 0.998652 | standard |
| 7.211 | 0.114741 | standard |
| 7.26529 | 0.209298 | standard |
| 7.3163 | 0.164046 | standard |
| 7.68119 | 0.292035 | standard |
| 7.73946 | 0.229081 | standard |
| 7.95718 | 0.280635 | standard |
| 8.00423 | 0.248881 | standard |
| 8.74902 | 1.0 | standard |
| 4.08533 | 0.998411 | standard |
| 7.21682 | 0.116814 | standard |
| 7.26557 | 0.209415 | standard |
| 7.31155 | 0.161209 | standard |
| 7.68371 | 0.288592 | standard |
| 7.73625 | 0.23177 | standard |
| 7.9594 | 0.278736 | standard |
| 8.00172 | 0.250204 | standard |
| 8.74902 | 1.0 | standard |
| 4.08533 | 0.992628 | standard |
| 7.24209 | 0.127826 | standard |
| 7.26625 | 0.210837 | standard |
| 7.2895 | 0.147451 | standard |
| 7.69569 | 0.273395 | standard |
| 7.72191 | 0.24476 | standard |
| 7.96947 | 0.267912 | standard |
| 7.99068 | 0.258394 | standard |
| 8.74902 | 1.0 | standard |
| 4.04835 | 0.0132783 | standard |
| 4.08528 | 0.975507 | standard |
| 4.12231 | 0.0132356 | standard |
| 7.25028 | 0.1329 | standard |
| 7.26639 | 0.209337 | standard |
| 7.28189 | 0.142522 | standard |
| 7.69985 | 0.267438 | standard |
| 7.71736 | 0.25022 | standard |
| 7.97293 | 0.263761 | standard |
| 7.98708 | 0.262489 | standard |
| 8.74902 | 1.0 | standard |
| 4.0572 | 0.0169792 | standard |
| 4.08533 | 0.936865 | standard |
| 4.11346 | 0.0169792 | standard |
| 7.25433 | 0.134788 | standard |
| 7.26636 | 0.21128 | standard |
| 7.27804 | 0.139901 | standard |
| 7.70193 | 0.263474 | standard |
| 7.71509 | 0.254017 | standard |
| 7.9747 | 0.263245 | standard |
| 7.98526 | 0.263242 | standard |
| 8.74902 | 1.0 | standard |
| 4.06256 | 0.0215661 | standard |
| 4.08533 | 0.880513 | standard |
| 4.1081 | 0.0215661 | standard |
| 7.2567 | 0.136331 | standard |
| 7.26632 | 0.211131 | standard |
| 7.27577 | 0.13805 | standard |
| 7.70321 | 0.260225 | standard |
| 7.7137 | 0.257355 | standard |
| 7.97569 | 0.263108 | standard |
| 7.98417 | 0.263106 | standard |
| 8.74902 | 1.0 | standard |
| 4.06609 | 0.0268533 | standard |
| 4.08528 | 0.783541 | standard |
| 4.10457 | 0.0267795 | standard |
| 7.25838 | 0.137249 | standard |
| 7.26629 | 0.2139 | standard |
| 7.27419 | 0.137881 | standard |
| 7.7041 | 0.259439 | standard |
| 7.71281 | 0.258234 | standard |
| 7.97638 | 0.262972 | standard |
| 7.98348 | 0.262971 | standard |
| 8.74902 | 1.0 | standard |
| 4.06855 | 0.0325556 | standard |
| 4.08479 | 0.668333 | standard |
| 4.08587 | 0.668333 | standard |
| 4.10211 | 0.0325556 | standard |
| 7.25947 | 0.137134 | standard |
| 7.26628 | 0.212678 | standard |
| 7.2731 | 0.137134 | standard |
| 7.7047 | 0.258697 | standard |
| 7.71222 | 0.258698 | standard |
| 7.97687 | 0.262852 | standard |
| 7.98299 | 0.262851 | standard |
| 8.74902 | 1.0 | standard |
| 4.06954 | 0.0355715 | standard |
| 4.08469 | 0.644259 | standard |
| 4.08596 | 0.64426 | standard |
| 4.10102 | 0.0356577 | standard |
| 7.25996 | 0.137329 | standard |
| 7.26628 | 0.207242 | standard |
| 7.27261 | 0.13733 | standard |
| 7.70499 | 0.25892 | standard |
| 7.71192 | 0.258921 | standard |
| 7.97707 | 0.262793 | standard |
| 7.98279 | 0.262793 | standard |
| 8.74902 | 1.0 | standard |
| 4.07042 | 0.038705 | standard |
| 4.08447 | 0.599956 | standard |
| 4.08619 | 0.599956 | standard |
| 4.10023 | 0.038705 | standard |
| 7.26036 | 0.13727 | standard |
| 7.26628 | 0.214375 | standard |
| 7.27221 | 0.13727 | standard |
| 7.70519 | 0.258821 | standard |
| 7.71172 | 0.258821 | standard |
| 7.97727 | 0.262961 | standard |
| 7.98259 | 0.26296 | standard |
| 8.74902 | 1.0 | standard |
| 4.0719 | 0.0451266 | standard |
| 4.08428 | 0.553226 | standard |
| 4.08637 | 0.553226 | standard |
| 4.09875 | 0.0451266 | standard |
| 7.26105 | 0.137212 | standard |
| 7.26633 | 0.211951 | standard |
| 7.27162 | 0.137212 | standard |
| 7.70549 | 0.258721 | standard |
| 7.71133 | 0.258721 | standard |
| 7.97756 | 0.262958 | standard |
| 7.9823 | 0.262957 | standard |
| 8.74902 | 1.0 | standard |
| 4.0725 | 0.0484109 | standard |
| 4.08416 | 0.535226 | standard |
| 4.0864 | 0.535224 | standard |
| 4.09816 | 0.0483115 | standard |
| 7.26135 | 0.137492 | standard |
| 7.26628 | 0.21517 | standard |
| 7.27132 | 0.137064 | standard |
| 7.70569 | 0.258688 | standard |
| 7.71123 | 0.258689 | standard |
| 7.97766 | 0.262676 | standard |
| 7.9822 | 0.262675 | standard |
| 8.74902 | 1.0 | standard |
| 4.07299 | 0.0515747 | standard |
| 4.08414 | 0.519881 | standard |
| 4.08652 | 0.519881 | standard |
| 4.09767 | 0.0515747 | standard |
| 7.26154 | 0.137294 | standard |
| 7.26628 | 0.211219 | standard |
| 7.27103 | 0.137294 | standard |
| 7.70579 | 0.258751 | standard |
| 7.71103 | 0.258751 | standard |
| 7.97786 | 0.263071 | standard |
| 7.9821 | 0.263071 | standard |
| 8.74902 | 1.0 | standard |
| 4.07527 | 0.0708521 | standard |
| 4.0838 | 0.461153 | standard |
| 4.08686 | 0.461153 | standard |
| 4.09539 | 0.0708521 | standard |
| 7.26263 | 0.137268 | standard |
| 7.26628 | 0.207994 | standard |
| 7.26994 | 0.137268 | standard |
| 7.70638 | 0.258652 | standard |
| 7.71044 | 0.258652 | standard |
| 7.97835 | 0.263126 | standard |
| 7.98161 | 0.263126 | standard |
| 8.74902 | 1.0 | standard |