Indazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04223 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9) | |
| Note 1 | 10,12?11,13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Indazole | 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 | |
|---|---|---|---|---|---|
| 10 | 7.246 | 7.52 | 8.721 | 0 | 0 |
| 11 | 0 | 7.493 | 0 | 8.721 | 0 |
| 12 | 0 | 0 | 7.657 | 0 | 0 |
| 13 | 0 | 0 | 0 | 7.878 | 0 |
| 14 | 0 | 0 | 0 | 0 | 8.16 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.23217 | 0.237778 | standard |
| 7.24522 | 0.372583 | standard |
| 7.25924 | 0.280585 | standard |
| 7.47914 | 0.262307 | standard |
| 7.4932 | 0.384494 | standard |
| 7.50616 | 0.255709 | standard |
| 7.64989 | 0.523861 | standard |
| 7.66442 | 0.48944 | standard |
| 7.87103 | 0.524961 | standard |
| 7.8855 | 0.487804 | standard |
| 8.16035 | 1.0 | standard |
| 7.01301 | 0.0700701 | standard |
| 7.16625 | 0.181799 | standard |
| 7.22373 | 0.141063 | standard |
| 7.3401 | 0.537402 | standard |
| 7.3828 | 0.45522 | standard |
| 7.51705 | 0.620187 | standard |
| 7.57449 | 0.648347 | standard |
| 7.65889 | 0.398599 | standard |
| 7.79915 | 0.656627 | standard |
| 8.01668 | 0.204447 | standard |
| 8.16028 | 1.0 | standard |
| 7.09062 | 0.109238 | standard |
| 7.21065 | 0.288531 | standard |
| 7.35324 | 0.531566 | standard |
| 7.50485 | 0.468541 | standard |
| 7.60371 | 0.697972 | standard |
| 7.74128 | 0.325986 | standard |
| 7.82186 | 0.573923 | standard |
| 7.9603 | 0.296262 | standard |
| 8.16034 | 1.0 | standard |
| 7.13196 | 0.134578 | standard |
| 7.22537 | 0.326782 | standard |
| 7.32736 | 0.420122 | standard |
| 7.397 | 0.299279 | standard |
| 7.50075 | 0.442932 | standard |
| 7.61067 | 0.673702 | standard |
| 7.71725 | 0.371726 | standard |
| 7.8333 | 0.598721 | standard |
| 7.93827 | 0.358133 | standard |
| 8.16035 | 1.0 | standard |
| 7.14557 | 0.14525 | standard |
| 7.22942 | 0.336658 | standard |
| 7.3206 | 0.406568 | standard |
| 7.40652 | 0.293316 | standard |
| 7.49954 | 0.435973 | standard |
| 7.58179 | 0.309081 | standard |
| 7.61551 | 0.626216 | standard |
| 7.71 | 0.387037 | standard |
| 7.83717 | 0.600325 | standard |
| 7.93114 | 0.372472 | standard |
| 8.16035 | 1.0 | standard |
| 7.15636 | 0.152585 | standard |
| 7.23225 | 0.344596 | standard |
| 7.31479 | 0.396201 | standard |
| 7.41444 | 0.288619 | standard |
| 7.49868 | 0.430204 | standard |
| 7.57273 | 0.277487 | standard |
| 7.61901 | 0.610339 | standard |
| 7.70435 | 0.401249 | standard |
| 7.84053 | 0.596189 | standard |
| 7.92558 | 0.387761 | standard |
| 8.16035 | 1.0 | standard |
| 7.20308 | 0.200273 | standard |
| 7.24192 | 0.3694 | standard |
| 7.28372 | 0.327799 | standard |
| 7.45248 | 0.272653 | standard |
| 7.49509 | 0.402617 | standard |
| 7.53312 | 0.251852 | standard |
| 7.63653 | 0.561566 | standard |
| 7.67981 | 0.452553 | standard |
| 7.85771 | 0.55936 | standard |
| 7.90104 | 0.449052 | standard |
| 8.16035 | 1.0 | standard |
| 7.21785 | 0.218345 | standard |
| 7.24392 | 0.374328 | standard |
| 7.27178 | 0.303876 | standard |
| 7.46571 | 0.267067 | standard |
| 7.49404 | 0.393885 | standard |
| 7.51974 | 0.254499 | standard |
| 7.64305 | 0.542823 | standard |
| 7.672 | 0.473168 | standard |
| 7.86423 | 0.542788 | standard |
| 7.89319 | 0.468797 | standard |
| 8.16035 | 1.0 | standard |
| 7.22508 | 0.227822 | standard |
| 7.24464 | 0.373041 | standard |
| 7.26558 | 0.292146 | standard |
| 7.4724 | 0.26454 | standard |
| 7.49363 | 0.389 | standard |
| 7.51295 | 0.255093 | standard |
| 7.64642 | 0.533324 | standard |
| 7.66818 | 0.481237 | standard |
| 7.86755 | 0.533978 | standard |
| 7.88932 | 0.478148 | standard |
| 8.16035 | 1.0 | standard |
| 7.22935 | 0.233639 | standard |
| 7.24507 | 0.376404 | standard |
| 7.26181 | 0.285152 | standard |
| 7.47647 | 0.263201 | standard |
| 7.49335 | 0.386282 | standard |
| 7.50889 | 0.255531 | standard |
| 7.6485 | 0.527678 | standard |
| 7.6659 | 0.48615 | standard |
| 7.86964 | 0.528556 | standard |
| 7.88706 | 0.483771 | standard |
| 8.16035 | 1.0 | standard |
| 7.23217 | 0.237778 | standard |
| 7.24522 | 0.372585 | standard |
| 7.25924 | 0.280586 | standard |
| 7.47914 | 0.262307 | standard |
| 7.4932 | 0.384497 | standard |
| 7.50616 | 0.255709 | standard |
| 7.64989 | 0.523862 | standard |
| 7.66442 | 0.48944 | standard |
| 7.87103 | 0.524961 | standard |
| 7.8855 | 0.487804 | standard |
| 8.16035 | 1.0 | standard |
| 7.23415 | 0.240604 | standard |
| 7.24541 | 0.373199 | standard |
| 7.25735 | 0.277415 | standard |
| 7.48103 | 0.261622 | standard |
| 7.49316 | 0.380246 | standard |
| 7.50423 | 0.256266 | standard |
| 7.65093 | 0.521787 | standard |
| 7.66332 | 0.491887 | standard |
| 7.87202 | 0.52227 | standard |
| 7.88451 | 0.490404 | standard |
| 8.16035 | 1.0 | standard |
| 7.23495 | 0.241789 | standard |
| 7.2454 | 0.371771 | standard |
| 7.246 | 0.369721 | standard |
| 7.25666 | 0.27602 | standard |
| 7.48182 | 0.261448 | standard |
| 7.49306 | 0.382727 | standard |
| 7.50343 | 0.256385 | standard |
| 7.65133 | 0.520719 | standard |
| 7.66293 | 0.492808 | standard |
| 7.87241 | 0.521287 | standard |
| 7.88401 | 0.491546 | standard |
| 8.16035 | 1.0 | standard |
| 7.23564 | 0.242793 | standard |
| 7.24553 | 0.376913 | standard |
| 7.25596 | 0.274951 | standard |
| 7.48252 | 0.261248 | standard |
| 7.4931 | 0.377599 | standard |
| 7.50274 | 0.25658 | standard |
| 7.65162 | 0.519781 | standard |
| 7.66253 | 0.493612 | standard |
| 7.87281 | 0.520393 | standard |
| 7.88367 | 0.491735 | standard |
| 8.16035 | 1.0 | standard |
| 7.23683 | 0.244536 | standard |
| 7.24551 | 0.368726 | standard |
| 7.24613 | 0.367028 | standard |
| 7.25487 | 0.273121 | standard |
| 7.48361 | 0.260896 | standard |
| 7.49304 | 0.374275 | standard |
| 7.50165 | 0.25668 | standard |
| 7.65222 | 0.518254 | standard |
| 7.66194 | 0.49499 | standard |
| 7.87341 | 0.518907 | standard |
| 7.88302 | 0.49412 | standard |
| 8.16035 | 1.0 | standard |
| 7.23733 | 0.245241 | standard |
| 7.24568 | 0.37901 | standard |
| 7.25438 | 0.272412 | standard |
| 7.4841 | 0.260784 | standard |
| 7.49288 | 0.3894 | standard |
| 7.50115 | 0.256778 | standard |
| 7.65252 | 0.517739 | standard |
| 7.66164 | 0.495704 | standard |
| 7.8736 | 0.518113 | standard |
| 7.88282 | 0.494621 | standard |
| 8.16035 | 1.0 | standard |
| 7.23772 | 0.245876 | standard |
| 7.24565 | 0.377003 | standard |
| 7.25398 | 0.271606 | standard |
| 7.4845 | 0.260609 | standard |
| 7.49292 | 0.381041 | standard |
| 7.50076 | 0.256807 | standard |
| 7.65272 | 0.517087 | standard |
| 7.66144 | 0.49615 | standard |
| 7.8738 | 0.517582 | standard |
| 7.88253 | 0.495266 | standard |
| 8.16035 | 1.0 | standard |
| 7.23971 | 0.252917 | standard |
| 7.24575 | 0.382657 | standard |
| 7.2522 | 0.264312 | standard |
| 7.48638 | 0.264474 | standard |
| 7.49243 | 0.360777 | standard |
| 7.49291 | 0.36567 | standard |
| 7.49887 | 0.252848 | standard |
| 7.65371 | 0.506456 | standard |
| 7.66045 | 0.506454 | standard |
| 7.87479 | 0.506441 | standard |
| 7.88154 | 0.50644 | standard |
| 8.16035 | 1.0 | standard |