Methyl 1H-pyrrole-2-carboxylate
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02121 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3 | |
| Note 1 | 14?15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Methyl 1H-pyrrole-2-carboxylate | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|---|
| 10 | 3.851 | -14.0 | -14.0 | 0 | 0 | 0 |
| 11 | 0 | 3.851 | -14.0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 3.851 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 6.324 | 3.906 | 2.96 |
| 14 | 0 | 0 | 0 | 0 | 7.011 | 1.433 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.122 |
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 |
|---|---|---|
| 3.8514 | 1.0 | standard |
| 6.31844 | 0.098789 | standard |
| 6.32411 | 0.148771 | standard |
| 6.32978 | 0.098789 | standard |
| 7.00759 | 0.122241 | standard |
| 7.00929 | 0.129166 | standard |
| 7.01377 | 0.128687 | standard |
| 7.01548 | 0.122729 | standard |
| 7.121 | 0.143632 | standard |
| 7.12353 | 0.14406 | standard |
| 3.8514 | 1.0 | standard |
| 6.23509 | 0.0820501 | standard |
| 6.32357 | 0.144444 | standard |
| 6.40351 | 0.120672 | standard |
| 6.98054 | 0.173297 | standard |
| 7.07588 | 0.274341 | standard |
| 7.14091 | 0.168471 | standard |
| 3.8514 | 1.0 | standard |
| 6.26572 | 0.0871431 | standard |
| 6.32347 | 0.147218 | standard |
| 6.37823 | 0.112822 | standard |
| 6.9901 | 0.15493 | standard |
| 7.05685 | 0.154722 | standard |
| 7.08851 | 0.172736 | standard |
| 7.10959 | 0.153631 | standard |
| 7.13548 | 0.155204 | standard |
| 3.8514 | 1.0 | standard |
| 6.2807 | 0.0902243 | standard |
| 6.32377 | 0.148038 | standard |
| 6.3651 | 0.108893 | standard |
| 6.99523 | 0.146968 | standard |
| 7.03037 | 0.122272 | standard |
| 7.04335 | 0.132041 | standard |
| 7.09808 | 0.149679 | standard |
| 7.11351 | 0.147039 | standard |
| 7.13206 | 0.151176 | standard |
| 3.8514 | 1.0 | standard |
| 6.28556 | 0.0910336 | standard |
| 6.32388 | 0.148029 | standard |
| 6.36069 | 0.107716 | standard |
| 6.99697 | 0.144481 | standard |
| 7.02774 | 0.121613 | standard |
| 7.03956 | 0.128805 | standard |
| 7.10085 | 0.144992 | standard |
| 7.11451 | 0.14555 | standard |
| 7.13103 | 0.149887 | standard |
| 3.8514 | 1.0 | standard |
| 6.28957 | 0.0919036 | standard |
| 6.32394 | 0.148616 | standard |
| 6.35717 | 0.106794 | standard |
| 6.99842 | 0.142519 | standard |
| 7.02592 | 0.121446 | standard |
| 7.03664 | 0.126931 | standard |
| 7.10306 | 0.142261 | standard |
| 7.11536 | 0.145154 | standard |
| 7.13002 | 0.149538 | standard |
| 3.8514 | 1.0 | standard |
| 6.30701 | 0.0975225 | standard |
| 6.32408 | 0.148356 | standard |
| 6.34082 | 0.100093 | standard |
| 7.0048 | 0.133723 | standard |
| 7.01849 | 0.124556 | standard |
| 7.02376 | 0.123695 | standard |
| 7.11282 | 0.131907 | standard |
| 7.11869 | 0.142302 | standard |
| 7.12611 | 0.147057 | standard |
| 3.8514 | 1.0 | standard |
| 6.31278 | 0.0990379 | standard |
| 6.32401 | 0.148855 | standard |
| 6.33535 | 0.0986403 | standard |
| 7.0038 | 0.120844 | standard |
| 7.00704 | 0.130622 | standard |
| 7.01612 | 0.127057 | standard |
| 7.01961 | 0.124278 | standard |
| 7.11606 | 0.130393 | standard |
| 7.11987 | 0.143317 | standard |
| 7.12475 | 0.146386 | standard |
| 3.8514 | 1.0 | standard |
| 6.31561 | 0.0988182 | standard |
| 6.32411 | 0.148839 | standard |
| 6.33251 | 0.0991302 | standard |
| 7.0056 | 0.121284 | standard |
| 7.0081 | 0.129399 | standard |
| 7.01499 | 0.127506 | standard |
| 7.01759 | 0.123339 | standard |
| 7.11769 | 0.129535 | standard |
| 7.12045 | 0.144141 | standard |
| 7.12408 | 0.1459 | standard |
| 3.8514 | 1.0 | standard |
| 6.31738 | 0.0992429 | standard |
| 6.32406 | 0.149462 | standard |
| 6.33086 | 0.0988471 | standard |
| 7.00678 | 0.121495 | standard |
| 7.00885 | 0.128812 | standard |
| 7.01435 | 0.129317 | standard |
| 7.01625 | 0.124426 | standard |
| 7.11867 | 0.128707 | standard |
| 7.12085 | 0.144889 | standard |
| 7.12368 | 0.145738 | standard |
| 3.8514 | 1.0 | standard |
| 6.31844 | 0.0987691 | standard |
| 6.32411 | 0.14852 | standard |
| 6.32978 | 0.0987572 | standard |
| 7.00759 | 0.121963 | standard |
| 7.00929 | 0.129044 | standard |
| 7.01377 | 0.128668 | standard |
| 7.01548 | 0.122718 | standard |
| 7.121 | 0.143333 | standard |
| 7.12353 | 0.143972 | standard |
| 3.8514 | 1.0 | standard |
| 6.31933 | 0.0992753 | standard |
| 6.3241 | 0.147615 | standard |
| 6.3289 | 0.0992448 | standard |
| 7.00809 | 0.120756 | standard |
| 7.00963 | 0.127892 | standard |
| 7.01342 | 0.128094 | standard |
| 7.01497 | 0.12136 | standard |
| 7.1196 | 0.126815 | standard |
| 7.12122 | 0.143291 | standard |
| 7.12335 | 0.145139 | standard |
| 3.8514 | 1.0 | standard |
| 6.31962 | 0.0989006 | standard |
| 6.32411 | 0.15203 | standard |
| 6.32861 | 0.0989518 | standard |
| 7.0084 | 0.122945 | standard |
| 7.00971 | 0.129196 | standard |
| 7.01334 | 0.129166 | standard |
| 7.01465 | 0.122977 | standard |
| 7.11972 | 0.125971 | standard |
| 7.12134 | 0.144154 | standard |
| 7.12322 | 0.145529 | standard |
| 3.8514 | 1.0 | standard |
| 6.31991 | 0.0991962 | standard |
| 6.32411 | 0.14907 | standard |
| 6.32831 | 0.0991923 | standard |
| 7.00855 | 0.122346 | standard |
| 7.00983 | 0.128737 | standard |
| 7.01322 | 0.128769 | standard |
| 7.0145 | 0.122459 | standard |
| 7.12131 | 0.144959 | standard |
| 7.12312 | 0.145022 | standard |
| 3.8514 | 1.0 | standard |
| 6.3204 | 0.0992187 | standard |
| 6.32411 | 0.152261 | standard |
| 6.32782 | 0.09872 | standard |
| 7.00892 | 0.12256 | standard |
| 7.01005 | 0.129152 | standard |
| 7.013 | 0.128995 | standard |
| 7.01413 | 0.122111 | standard |
| 7.1214 | 0.144602 | standard |
| 7.12303 | 0.144491 | standard |
| 3.8514 | 1.0 | standard |
| 6.3206 | 0.0993057 | standard |
| 6.32411 | 0.149725 | standard |
| 6.32763 | 0.0993057 | standard |
| 7.00901 | 0.122626 | standard |
| 7.01004 | 0.128412 | standard |
| 7.01301 | 0.128413 | standard |
| 7.01404 | 0.122629 | standard |
| 7.12021 | 0.124974 | standard |
| 7.12153 | 0.143166 | standard |
| 7.12304 | 0.144914 | standard |
| 3.8514 | 1.0 | standard |
| 6.32069 | 0.0986285 | standard |
| 6.3241 | 0.146026 | standard |
| 6.32753 | 0.0986 | standard |
| 7.00922 | 0.123374 | standard |
| 7.01014 | 0.129579 | standard |
| 7.01291 | 0.129802 | standard |
| 7.01383 | 0.123953 | standard |
| 7.12149 | 0.14559 | standard |
| 7.12291 | 0.144155 | standard |
| 7.12412 | 0.125982 | standard |
| 3.8514 | 1.0 | standard |
| 6.32147 | 0.0986132 | standard |
| 6.32411 | 0.144178 | standard |
| 6.32675 | 0.0978861 | standard |
| 7.00972 | 0.122664 | standard |
| 7.01048 | 0.128989 | standard |
| 7.01257 | 0.128801 | standard |
| 7.01332 | 0.122145 | standard |
| 7.12168 | 0.14387 | standard |
| 7.12285 | 0.143806 | standard |