4-Chloro-1H-indazol-3-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02179 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11) | |
| Note 1 | 13?14 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Chloro-1H-indazol-3-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | |
|---|---|---|---|
| 12 | 7.339 | 8.061 | 8.061 |
| 13 | 0 | 7.092 | 0 |
| 14 | 0 | 0 | 7.356 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.06952 | 0.0193081 | standard |
| 7.08559 | 0.496964 | standard |
| 7.09752 | 0.537586 | standard |
| 7.11354 | 0.0239851 | standard |
| 7.32402 | 0.18686 | standard |
| 7.33735 | 0.547874 | standard |
| 7.35157 | 1.00001 | standard |
| 7.36497 | 0.222981 | standard |
| 6.84752 | 0.02386 | standard |
| 6.93396 | 0.0784702 | standard |
| 7.06059 | 0.210452 | standard |
| 7.16267 | 0.470603 | standard |
| 7.30989 | 1.0 | standard |
| 7.40155 | 0.372965 | standard |
| 7.4455 | 0.252567 | standard |
| 6.93098 | 0.0348152 | standard |
| 7.00122 | 0.150289 | standard |
| 7.07279 | 0.370909 | standard |
| 7.14462 | 0.449889 | standard |
| 7.18907 | 0.218499 | standard |
| 7.21586 | 0.261016 | standard |
| 7.26237 | 0.217578 | standard |
| 7.31914 | 1.0 | standard |
| 7.38472 | 0.586612 | standard |
| 6.97235 | 0.0449812 | standard |
| 7.02916 | 0.21253 | standard |
| 7.08129 | 0.450958 | standard |
| 7.13347 | 0.461793 | standard |
| 7.19145 | 0.202459 | standard |
| 7.22126 | 0.15682 | standard |
| 7.32196 | 1.0 | standard |
| 7.33094 | 0.987814 | standard |
| 7.37726 | 0.830622 | standard |
| 6.9859 | 0.049454 | standard |
| 7.03753 | 0.239003 | standard |
| 7.08378 | 0.45987 | standard |
| 7.12948 | 0.472223 | standard |
| 7.18175 | 0.182469 | standard |
| 7.2344 | 0.140776 | standard |
| 7.32322 | 1.0 | standard |
| 7.33415 | 0.990143 | standard |
| 7.37398 | 0.946502 | standard |
| 6.99663 | 0.0507283 | standard |
| 7.04394 | 0.249339 | standard |
| 7.08581 | 0.433069 | standard |
| 7.1262 | 0.457451 | standard |
| 7.17397 | 0.163623 | standard |
| 7.24441 | 0.131559 | standard |
| 7.3245 | 0.947596 | standard |
| 7.33644 | 0.943164 | standard |
| 7.3711 | 1.0 | standard |
| 7.04337 | 0.0434213 | standard |
| 7.07003 | 0.246937 | standard |
| 7.08357 | 0.261578 | standard |
| 7.09672 | 0.288404 | standard |
| 7.11019 | 0.331476 | standard |
| 7.13695 | 0.079365 | standard |
| 7.29157 | 0.103464 | standard |
| 7.3318 | 0.579107 | standard |
| 7.34535 | 0.63721 | standard |
| 7.35851 | 1.00001 | standard |
| 7.38452 | 0.101202 | standard |
| 7.05762 | 0.0351164 | standard |
| 7.07782 | 0.263227 | standard |
| 7.08415 | 0.260674 | standard |
| 7.09784 | 0.289738 | standard |
| 7.10428 | 0.31758 | standard |
| 7.1245 | 0.0532161 | standard |
| 7.30779 | 0.109567 | standard |
| 7.3347 | 0.481025 | standard |
| 7.3488 | 0.630328 | standard |
| 7.35463 | 1.00008 | standard |
| 7.37456 | 0.109327 | standard |
| 7.06412 | 0.0268705 | standard |
| 7.0816 | 0.2897 | standard |
| 7.08477 | 0.286333 | standard |
| 7.09792 | 0.318621 | standard |
| 7.10107 | 0.333633 | standard |
| 7.11857 | 0.0371483 | standard |
| 7.316 | 0.120443 | standard |
| 7.33614 | 0.439343 | standard |
| 7.35264 | 1.0001 | standard |
| 7.36958 | 0.12381 | standard |
| 7.06756 | 0.0200831 | standard |
| 7.08408 | 0.328913 | standard |
| 7.0989 | 0.37056 | standard |
| 7.11542 | 0.0259022 | standard |
| 7.32086 | 0.131501 | standard |
| 7.33689 | 0.419632 | standard |
| 7.35092 | 1.00016 | standard |
| 7.36674 | 0.143118 | standard |
| 7.06952 | 0.019308 | standard |
| 7.08559 | 0.49696 | standard |
| 7.09752 | 0.537582 | standard |
| 7.11354 | 0.0239851 | standard |
| 7.32402 | 0.186857 | standard |
| 7.33735 | 0.547869 | standard |
| 7.35157 | 1.00001 | standard |
| 7.36497 | 0.222976 | standard |
| 7.07079 | 0.016413 | standard |
| 7.08636 | 0.582514 | standard |
| 7.09684 | 0.618692 | standard |
| 7.11236 | 0.0184927 | standard |
| 7.3263 | 0.214495 | standard |
| 7.33772 | 0.593784 | standard |
| 7.3483 | 0.691938 | standard |
| 7.35245 | 1.00015 | standard |
| 7.36363 | 0.276223 | standard |
| 7.07128 | 0.0141561 | standard |
| 7.0867 | 0.593176 | standard |
| 7.09653 | 0.640906 | standard |
| 7.11197 | 0.0157981 | standard |
| 7.32719 | 0.221155 | standard |
| 7.33781 | 0.607115 | standard |
| 7.34786 | 0.648409 | standard |
| 7.35255 | 1.00016 | standard |
| 7.36312 | 0.303997 | standard |
| 7.07168 | 0.0124531 | standard |
| 7.08695 | 0.61264 | standard |
| 7.09633 | 0.673387 | standard |
| 7.11157 | 0.0138461 | standard |
| 7.32799 | 0.230528 | standard |
| 7.33791 | 0.622148 | standard |
| 7.34745 | 0.624932 | standard |
| 7.3527 | 1.00028 | standard |
| 7.36262 | 0.328039 | standard |
| 7.08745 | 0.632157 | standard |
| 7.09583 | 0.689132 | standard |
| 7.32927 | 0.239447 | standard |
| 7.33811 | 0.633256 | standard |
| 7.34663 | 0.57738 | standard |
| 7.35294 | 1.00071 | standard |
| 7.36182 | 0.357266 | standard |
| 7.08765 | 0.657747 | standard |
| 7.09568 | 0.700485 | standard |
| 7.32977 | 0.244375 | standard |
| 7.3382 | 0.635436 | standard |
| 7.34633 | 0.563226 | standard |
| 7.35308 | 1.00009 | standard |
| 7.36149 | 0.376659 | standard |
| 7.08785 | 0.669766 | standard |
| 7.09548 | 0.711227 | standard |
| 7.33027 | 0.253087 | standard |
| 7.33831 | 0.656486 | standard |
| 7.34603 | 0.560641 | standard |
| 7.35318 | 1.00011 | standard |
| 7.36116 | 0.402233 | standard |
| 7.08864 | 0.725614 | standard |
| 7.09469 | 0.760653 | standard |
| 7.33245 | 0.287009 | standard |
| 7.33853 | 0.714074 | standard |
| 7.34464 | 0.533006 | standard |
| 7.35377 | 1.00003 | standard |
| 7.3599 | 0.496243 | standard |