6-Chlorooxindole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.11629 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11) | |
| Note 1 | 14,15 missing (saturated?) |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Chlorooxindole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | |
|---|---|---|---|---|---|
| 12 | 7.272 | 7.952 | 0 | 0 | 0 |
| 13 | 0 | 7.108 | 0 | 0 | 2.01 |
| 14 | 0 | 0 | 3.272 | 15.9 | 0 |
| 15 | 0 | 0 | 0 | 3.275 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.059 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.27349 | 1.00087 | standard |
| 7.05787 | 0.289859 | standard |
| 7.06089 | 0.316781 | standard |
| 7.09999 | 0.151939 | standard |
| 7.10295 | 0.139121 | standard |
| 7.11316 | 0.174494 | standard |
| 7.11624 | 0.160475 | standard |
| 7.26559 | 0.274439 | standard |
| 7.27878 | 0.234688 | standard |
| 3.27344 | 1.0 | standard |
| 7.07872 | 0.413101 | standard |
| 7.1465 | 0.427162 | standard |
| 7.21232 | 0.544168 | standard |
| 7.4233 | 0.062815 | standard |
| 3.27344 | 1.0 | standard |
| 7.04772 | 0.358937 | standard |
| 7.07219 | 0.349125 | standard |
| 7.13967 | 0.328972 | standard |
| 7.16538 | 0.262348 | standard |
| 7.22526 | 0.402323 | standard |
| 7.31647 | 0.04658 | standard |
| 7.36538 | 0.088972 | standard |
| 3.27344 | 1.0 | standard |
| 7.05193 | 0.463085 | standard |
| 7.13478 | 0.285916 | standard |
| 7.15503 | 0.224793 | standard |
| 7.23302 | 0.325545 | standard |
| 7.3381 | 0.101158 | standard |
| 3.27344 | 1.0 | standard |
| 7.05612 | 0.498601 | standard |
| 7.13282 | 0.271569 | standard |
| 7.15125 | 0.214579 | standard |
| 7.23696 | 0.291316 | standard |
| 7.3283 | 0.105256 | standard |
| 3.27344 | 1.0 | standard |
| 7.05982 | 0.52305 | standard |
| 7.13108 | 0.260483 | standard |
| 7.14797 | 0.207045 | standard |
| 7.24151 | 0.278313 | standard |
| 7.31973 | 0.113739 | standard |
| 3.27344 | 1.0 | standard |
| 7.05475 | 0.262919 | standard |
| 7.06344 | 0.357151 | standard |
| 7.08195 | 0.178662 | standard |
| 7.1216 | 0.210059 | standard |
| 7.13043 | 0.177794 | standard |
| 7.25468 | 0.308497 | standard |
| 7.29389 | 0.192841 | standard |
| 3.27349 | 1.00022 | standard |
| 7.05626 | 0.27483 | standard |
| 7.06224 | 0.332386 | standard |
| 7.09121 | 0.15424 | standard |
| 7.09719 | 0.120813 | standard |
| 7.11752 | 0.19179 | standard |
| 7.12367 | 0.167697 | standard |
| 7.25984 | 0.291281 | standard |
| 7.28616 | 0.213879 | standard |
| 3.27349 | 1.00039 | standard |
| 7.05704 | 0.281784 | standard |
| 7.06159 | 0.323693 | standard |
| 7.09555 | 0.150918 | standard |
| 7.10016 | 0.128623 | standard |
| 7.11539 | 0.183106 | standard |
| 7.12001 | 0.163869 | standard |
| 7.26262 | 0.283124 | standard |
| 7.2824 | 0.224038 | standard |
| 3.27349 | 1.00061 | standard |
| 7.05752 | 0.286083 | standard |
| 7.06117 | 0.318896 | standard |
| 7.09822 | 0.151268 | standard |
| 7.10181 | 0.134895 | standard |
| 7.11407 | 0.177676 | standard |
| 7.11779 | 0.161487 | standard |
| 7.26435 | 0.277685 | standard |
| 7.28026 | 0.230339 | standard |
| 3.27349 | 1.00087 | standard |
| 7.05787 | 0.289861 | standard |
| 7.06089 | 0.316783 | standard |
| 7.09999 | 0.151939 | standard |
| 7.10295 | 0.139122 | standard |
| 7.11316 | 0.174495 | standard |
| 7.11624 | 0.160476 | standard |
| 7.26559 | 0.274439 | standard |
| 7.27878 | 0.234688 | standard |
| 3.27349 | 1.00119 | standard |
| 7.05804 | 0.291208 | standard |
| 7.06066 | 0.314534 | standard |
| 7.10115 | 0.151386 | standard |
| 7.10378 | 0.140797 | standard |
| 7.11256 | 0.173878 | standard |
| 7.11506 | 0.161759 | standard |
| 7.26648 | 0.272067 | standard |
| 7.27779 | 0.23789 | standard |
| 3.27349 | 1.00136 | standard |
| 7.05813 | 0.292427 | standard |
| 7.06057 | 0.314142 | standard |
| 7.10164 | 0.15171 | standard |
| 7.10409 | 0.142059 | standard |
| 7.11225 | 0.17152 | standard |
| 7.11469 | 0.159776 | standard |
| 7.26678 | 0.271123 | standard |
| 7.27739 | 0.239175 | standard |
| 3.27349 | 1.00154 | standard |
| 7.05822 | 0.292685 | standard |
| 7.06052 | 0.312678 | standard |
| 7.10203 | 0.15089 | standard |
| 7.1044 | 0.141938 | standard |
| 7.11205 | 0.171268 | standard |
| 7.1143 | 0.160184 | standard |
| 7.26708 | 0.270387 | standard |
| 7.27699 | 0.240401 | standard |
| 3.27349 | 1.00194 | standard |
| 7.05841 | 0.297092 | standard |
| 7.06038 | 0.314926 | standard |
| 7.10282 | 0.15335 | standard |
| 7.1048 | 0.145854 | standard |
| 7.11164 | 0.17049 | standard |
| 7.11361 | 0.160411 | standard |
| 7.26762 | 0.268637 | standard |
| 7.2765 | 0.242448 | standard |
| 3.27344 | 1.0 | standard |
| 7.05839 | 0.294101 | standard |
| 7.06039 | 0.311584 | standard |
| 7.10312 | 0.153992 | standard |
| 7.105 | 0.147007 | standard |
| 7.11144 | 0.170469 | standard |
| 7.11333 | 0.160664 | standard |
| 7.26787 | 0.269997 | standard |
| 7.2762 | 0.244542 | standard |
| 3.27344 | 1.0 | standard |
| 7.05849 | 0.299033 | standard |
| 7.06029 | 0.315257 | standard |
| 7.1033 | 0.152237 | standard |
| 7.10522 | 0.145649 | standard |
| 7.11123 | 0.167964 | standard |
| 7.11315 | 0.158154 | standard |
| 7.26807 | 0.269747 | standard |
| 7.276 | 0.245521 | standard |
| 3.27344 | 1.0 | standard |
| 7.05866 | 0.300894 | standard |
| 7.06011 | 0.312497 | standard |
| 7.10448 | 0.154591 | standard |
| 7.10593 | 0.150063 | standard |
| 7.11063 | 0.169674 | standard |
| 7.11196 | 0.163141 | standard |
| 7.26896 | 0.269803 | standard |
| 7.27501 | 0.250978 | standard |