6-Methyl-2-phenylpyrimidin-4-ol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04088 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H10N2O/c1-8-7-10(14)13-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14) | |
| Note 1 | 23? unusual chemical shift (6.3ppm) and weak |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Methyl-2-phenylpyrimidin-4-ol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | |
|---|---|---|---|---|---|---|---|---|---|
| 15 | 2.393 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 2.393 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 2.393 | 0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 7.679 | 7.653 | 7.653 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 7.606 | 1.5 | 8.458 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 7.606 | 0 | 8.458 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 7.879 | 1.5 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.879 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6.342 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333332 | standard |
| 7.59271 | 0.137114 | standard |
| 7.60565 | 0.299724 | standard |
| 7.6188 | 0.206087 | standard |
| 7.66777 | 0.127631 | standard |
| 7.68032 | 0.15978 | standard |
| 7.69287 | 0.0696812 | standard |
| 7.87243 | 0.331714 | standard |
| 7.88605 | 0.303137 | standard |
| 2.39346 | 1.0 | standard |
| 6.34218 | 0.334922 | standard |
| 7.68212 | 0.717779 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.33403 | standard |
| 7.6624 | 0.603156 | standard |
| 7.82171 | 0.356919 | standard |
| 7.94764 | 0.162715 | standard |
| 2.39346 | 1.0 | standard |
| 6.34217 | 0.333669 | standard |
| 7.65339 | 0.557637 | standard |
| 7.83672 | 0.316842 | standard |
| 7.92989 | 0.189449 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333569 | standard |
| 7.58819 | 0.224481 | standard |
| 7.65124 | 0.544942 | standard |
| 7.84176 | 0.311878 | standard |
| 7.92394 | 0.199965 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333564 | standard |
| 7.58995 | 0.225007 | standard |
| 7.64975 | 0.535293 | standard |
| 7.84562 | 0.311253 | standard |
| 7.91925 | 0.209449 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333303 | standard |
| 7.56751 | 0.090934 | standard |
| 7.59996 | 0.243135 | standard |
| 7.63817 | 0.327622 | standard |
| 7.64941 | 0.289253 | standard |
| 7.68305 | 0.120999 | standard |
| 7.72348 | 0.0449497 | standard |
| 7.8611 | 0.335255 | standard |
| 7.8995 | 0.265602 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333409 | standard |
| 7.57877 | 0.108334 | standard |
| 7.60316 | 0.27038 | standard |
| 7.62907 | 0.249382 | standard |
| 7.65896 | 0.175609 | standard |
| 7.68265 | 0.132584 | standard |
| 7.70794 | 0.0540046 | standard |
| 7.86647 | 0.340048 | standard |
| 7.89303 | 0.286245 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333214 | standard |
| 7.5856 | 0.121728 | standard |
| 7.60459 | 0.286439 | standard |
| 7.62421 | 0.226712 | standard |
| 7.66302 | 0.149399 | standard |
| 7.68141 | 0.145718 | standard |
| 7.70029 | 0.0611732 | standard |
| 7.86934 | 0.337631 | standard |
| 7.88957 | 0.294747 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333269 | standard |
| 7.58986 | 0.130686 | standard |
| 7.60526 | 0.295274 | standard |
| 7.62107 | 0.213503 | standard |
| 7.66577 | 0.135994 | standard |
| 7.68071 | 0.154124 | standard |
| 7.69583 | 0.0660068 | standard |
| 7.87118 | 0.333487 | standard |
| 7.88743 | 0.300105 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333147 | standard |
| 7.59271 | 0.137006 | standard |
| 7.60565 | 0.299583 | standard |
| 7.6188 | 0.206062 | standard |
| 7.66777 | 0.127624 | standard |
| 7.68032 | 0.159696 | standard |
| 7.69287 | 0.0696492 | standard |
| 7.87243 | 0.331579 | standard |
| 7.88605 | 0.302925 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333327 | standard |
| 7.59474 | 0.142 | standard |
| 7.60591 | 0.303107 | standard |
| 7.61715 | 0.199725 | standard |
| 7.66923 | 0.121957 | standard |
| 7.68005 | 0.163401 | standard |
| 7.69083 | 0.0724081 | standard |
| 7.87331 | 0.326642 | standard |
| 7.88505 | 0.306844 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.33336 | standard |
| 7.59553 | 0.143834 | standard |
| 7.60595 | 0.304306 | standard |
| 7.61649 | 0.197526 | standard |
| 7.66984 | 0.119842 | standard |
| 7.67994 | 0.164769 | standard |
| 7.69002 | 0.0735597 | standard |
| 7.87369 | 0.3263 | standard |
| 7.88465 | 0.308398 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333206 | standard |
| 7.59623 | 0.146318 | standard |
| 7.60602 | 0.30548 | standard |
| 7.61588 | 0.195322 | standard |
| 7.67039 | 0.117939 | standard |
| 7.67985 | 0.165705 | standard |
| 7.68931 | 0.0744822 | standard |
| 7.87403 | 0.324221 | standard |
| 7.88427 | 0.310296 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333346 | standard |
| 7.59739 | 0.150045 | standard |
| 7.60611 | 0.306547 | standard |
| 7.61491 | 0.190604 | standard |
| 7.6713 | 0.114911 | standard |
| 7.6797 | 0.167517 | standard |
| 7.68816 | 0.0762873 | standard |
| 7.87456 | 0.322808 | standard |
| 7.8837 | 0.312439 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333374 | standard |
| 7.59788 | 0.150974 | standard |
| 7.60614 | 0.307989 | standard |
| 7.61447 | 0.188852 | standard |
| 7.6717 | 0.113667 | standard |
| 7.67966 | 0.168154 | standard |
| 7.68766 | 0.0770728 | standard |
| 7.8748 | 0.322049 | standard |
| 7.88345 | 0.313303 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333389 | standard |
| 7.59831 | 0.151424 | standard |
| 7.60621 | 0.308237 | standard |
| 7.61408 | 0.188522 | standard |
| 7.67207 | 0.112498 | standard |
| 7.67964 | 0.168825 | standard |
| 7.6872 | 0.07787 | standard |
| 7.87499 | 0.321486 | standard |
| 7.88321 | 0.314432 | standard |
| 2.39346 | 1.0 | standard |
| 6.34216 | 0.333277 | standard |
| 7.60026 | 0.157896 | standard |
| 7.6063 | 0.308766 | standard |
| 7.61243 | 0.181983 | standard |
| 7.67365 | 0.107676 | standard |
| 7.67947 | 0.171416 | standard |
| 7.6853 | 0.081063 | standard |
| 7.87596 | 0.320026 | standard |
| 7.88225 | 0.31702 | standard |