5-Methyl-2-pyridinol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02899 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Methyl-2-pyridinol | 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 | 2.13 | -14.0 | -14.0 | 0 | 0 | 0 |
| 10 | 0 | 2.13 | -14.0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 2.13 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.632 | 9.977 | 1.677 |
| 13 | 0 | 0 | 0 | 0 | 6.58 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 7.345 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.12972 | 1.0 | standard |
| 6.57188 | 0.168339 | standard |
| 6.58844 | 0.168329 | standard |
| 7.34359 | 0.213535 | standard |
| 7.34589 | 0.213528 | standard |
| 7.62261 | 0.108248 | standard |
| 7.6249 | 0.108722 | standard |
| 7.63926 | 0.108718 | standard |
| 7.64156 | 0.108237 | standard |
| 2.12972 | 1.0 | standard |
| 6.4417 | 0.13064 | standard |
| 6.6896 | 0.206944 | standard |
| 7.32927 | 0.201431 | standard |
| 7.36129 | 0.240469 | standard |
| 7.50552 | 0.156078 | standard |
| 7.75426 | 0.090486 | standard |
| 7.78776 | 0.0806961 | standard |
| 2.12972 | 1.0 | standard |
| 6.49077 | 0.143446 | standard |
| 6.65662 | 0.194087 | standard |
| 7.33335 | 0.204161 | standard |
| 7.35608 | 0.227302 | standard |
| 7.54417 | 0.1353 | standard |
| 7.56674 | 0.119221 | standard |
| 7.71014 | 0.096656 | standard |
| 7.73291 | 0.0883623 | standard |
| 2.12972 | 1.0 | standard |
| 6.51427 | 0.149409 | standard |
| 6.63882 | 0.188116 | standard |
| 7.3361 | 0.206147 | standard |
| 7.35328 | 0.223293 | standard |
| 7.56479 | 0.127152 | standard |
| 7.58203 | 0.116402 | standard |
| 7.68941 | 0.0999 | standard |
| 7.70657 | 0.093186 | standard |
| 2.12972 | 1.0 | standard |
| 6.52195 | 0.151439 | standard |
| 6.63267 | 0.185938 | standard |
| 7.33705 | 0.206906 | standard |
| 7.35232 | 0.222026 | standard |
| 7.57191 | 0.124835 | standard |
| 7.58719 | 0.115694 | standard |
| 7.68259 | 0.10071 | standard |
| 7.69806 | 0.0944781 | standard |
| 2.12972 | 1.0 | standard |
| 6.528 | 0.153071 | standard |
| 6.62766 | 0.184122 | standard |
| 7.3378 | 0.207358 | standard |
| 7.3516 | 0.220882 | standard |
| 7.57767 | 0.123026 | standard |
| 7.59139 | 0.115092 | standard |
| 7.67735 | 0.10173 | standard |
| 7.69109 | 0.0959541 | standard |
| 2.12972 | 1.0 | standard |
| 6.55473 | 0.161243 | standard |
| 6.60461 | 0.175562 | standard |
| 7.34122 | 0.211428 | standard |
| 7.34818 | 0.215112 | standard |
| 7.60419 | 0.113744 | standard |
| 7.61123 | 0.111706 | standard |
| 7.65409 | 0.104882 | standard |
| 7.66098 | 0.103165 | standard |
| 2.12972 | 1.0 | standard |
| 6.56335 | 0.164883 | standard |
| 6.59657 | 0.171616 | standard |
| 7.34233 | 0.211901 | standard |
| 7.34706 | 0.212354 | standard |
| 7.6133 | 0.110135 | standard |
| 7.61804 | 0.110005 | standard |
| 7.64664 | 0.106496 | standard |
| 7.65123 | 0.105875 | standard |
| 2.12972 | 1.0 | standard |
| 6.56762 | 0.167356 | standard |
| 6.59251 | 0.169292 | standard |
| 7.34302 | 0.213539 | standard |
| 7.34646 | 0.213525 | standard |
| 7.61797 | 0.108869 | standard |
| 7.62142 | 0.10936 | standard |
| 7.64283 | 0.107245 | standard |
| 7.64642 | 0.106751 | standard |
| 2.12972 | 1.0 | standard |
| 6.5702 | 0.16833 | standard |
| 6.59013 | 0.168331 | standard |
| 7.34334 | 0.212635 | standard |
| 7.34615 | 0.212635 | standard |
| 7.62076 | 0.107805 | standard |
| 7.62358 | 0.108293 | standard |
| 7.64069 | 0.108291 | standard |
| 7.6435 | 0.107803 | standard |
| 2.12972 | 1.0 | standard |
| 6.57188 | 0.168339 | standard |
| 6.58844 | 0.168339 | standard |
| 7.34359 | 0.21354 | standard |
| 7.34589 | 0.21354 | standard |
| 7.62261 | 0.108249 | standard |
| 7.6249 | 0.108723 | standard |
| 7.63926 | 0.108722 | standard |
| 7.64156 | 0.108248 | standard |
| 2.12972 | 1.0 | standard |
| 6.57307 | 0.168319 | standard |
| 6.58735 | 0.168319 | standard |
| 7.34376 | 0.213532 | standard |
| 7.34572 | 0.213532 | standard |
| 7.62396 | 0.108256 | standard |
| 7.62593 | 0.108736 | standard |
| 7.63812 | 0.107226 | standard |
| 7.64022 | 0.106712 | standard |
| 2.12972 | 1.0 | standard |
| 6.57357 | 0.168376 | standard |
| 6.58686 | 0.168376 | standard |
| 7.34373 | 0.211587 | standard |
| 7.34565 | 0.211588 | standard |
| 7.62443 | 0.107273 | standard |
| 7.62635 | 0.107773 | standard |
| 7.63772 | 0.107773 | standard |
| 7.63963 | 0.107272 | standard |
| 2.12972 | 1.0 | standard |
| 6.57396 | 0.168319 | standard |
| 6.58646 | 0.168319 | standard |
| 7.34383 | 0.21352 | standard |
| 7.34555 | 0.21352 | standard |
| 7.62493 | 0.108236 | standard |
| 7.62665 | 0.108709 | standard |
| 7.63742 | 0.108709 | standard |
| 7.63914 | 0.108236 | standard |
| 2.12972 | 1.0 | standard |
| 6.57466 | 0.168318 | standard |
| 6.58577 | 0.168267 | standard |
| 7.3439 | 0.21214 | standard |
| 7.34548 | 0.212105 | standard |
| 7.62569 | 0.107498 | standard |
| 7.62727 | 0.108023 | standard |
| 7.6368 | 0.108037 | standard |
| 7.63837 | 0.107548 | standard |
| 2.12972 | 1.0 | standard |
| 6.57496 | 0.168318 | standard |
| 6.58547 | 0.168002 | standard |
| 7.34399 | 0.212112 | standard |
| 7.34549 | 0.211892 | standard |
| 7.62611 | 0.109489 | standard |
| 7.62745 | 0.110134 | standard |
| 7.63662 | 0.110234 | standard |
| 7.63796 | 0.109797 | standard |
| 2.12972 | 1.0 | standard |
| 6.57525 | 0.168345 | standard |
| 6.58517 | 0.168345 | standard |
| 7.34399 | 0.21265 | standard |
| 7.34539 | 0.21265 | standard |
| 7.62637 | 0.107819 | standard |
| 7.62778 | 0.108314 | standard |
| 7.63629 | 0.108314 | standard |
| 7.63769 | 0.107819 | standard |
| 2.12972 | 1.0 | standard |
| 6.57634 | 0.168299 | standard |
| 6.58408 | 0.168298 | standard |
| 7.34416 | 0.213092 | standard |
| 7.34522 | 0.213092 | standard |
| 7.62764 | 0.108004 | standard |
| 7.6287 | 0.108471 | standard |
| 7.63537 | 0.108471 | standard |
| 7.63643 | 0.108005 | standard |