1H-indole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03519 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H | |
| Note 1 | 14?15 | |
| Note 2 | 12?13 | |
| Note 3 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1H-indole | 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 | 7.147 | 8.442 | 8.138 | 0 | 0 | 0 |
| 11 | 0 | 7.24 | 0 | 8.138 | 0 | 0 |
| 12 | 0 | 0 | 7.705 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 7.542 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 6.587 | 3.456 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.395 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.58372 | 0.99985 | standard |
| 6.5894 | 0.99985 | standard |
| 7.13284 | 0.402923 | standard |
| 7.14666 | 0.899812 | standard |
| 7.1604 | 0.565756 | standard |
| 7.22637 | 0.533575 | standard |
| 7.24008 | 0.907126 | standard |
| 7.25393 | 0.434011 | standard |
| 7.39268 | 1.0004 | standard |
| 7.39837 | 1.00041 | standard |
| 7.53573 | 0.980198 | standard |
| 7.54921 | 0.898914 | standard |
| 7.69807 | 0.964163 | standard |
| 7.71153 | 0.920553 | standard |
| 6.54169 | 0.531284 | standard |
| 6.62701 | 0.635743 | standard |
| 6.91209 | 0.0654 | standard |
| 7.08717 | 0.377449 | standard |
| 7.1398 | 0.318991 | standard |
| 7.18776 | 0.407189 | standard |
| 7.27202 | 0.91109 | standard |
| 7.35674 | 0.962669 | standard |
| 7.44609 | 1.0 | standard |
| 7.62107 | 0.582837 | standard |
| 7.71694 | 0.309098 | standard |
| 7.82473 | 0.242725 | standard |
| 7.94179 | 0.0386541 | standard |
| 6.55711 | 0.691324 | standard |
| 6.61403 | 0.776764 | standard |
| 6.98812 | 0.0894305 | standard |
| 7.12281 | 0.557417 | standard |
| 7.18185 | 0.61691 | standard |
| 7.24302 | 0.9192 | standard |
| 7.36931 | 1.0 | standard |
| 7.42423 | 0.830437 | standard |
| 7.48785 | 0.66156 | standard |
| 7.55771 | 0.378189 | standard |
| 7.64345 | 0.669268 | standard |
| 7.70617 | 0.313543 | standard |
| 7.77922 | 0.356878 | standard |
| 7.86373 | 0.0464252 | standard |
| 6.56463 | 0.819373 | standard |
| 6.60735 | 0.895516 | standard |
| 7.02733 | 0.124399 | standard |
| 7.12545 | 0.546546 | standard |
| 7.15249 | 0.477945 | standard |
| 7.1864 | 0.843538 | standard |
| 7.22277 | 0.677981 | standard |
| 7.25044 | 0.801888 | standard |
| 7.37441 | 1.0 | standard |
| 7.41765 | 0.896324 | standard |
| 7.50047 | 0.717431 | standard |
| 7.53192 | 0.363408 | standard |
| 7.56831 | 0.30024 | standard |
| 7.60026 | 0.435565 | standard |
| 7.66026 | 0.671417 | standard |
| 7.72731 | 0.288909 | standard |
| 7.75813 | 0.464832 | standard |
| 7.82832 | 0.0495214 | standard |
| 6.56718 | 0.874155 | standard |
| 6.60509 | 0.943528 | standard |
| 7.04054 | 0.144811 | standard |
| 7.12773 | 0.597144 | standard |
| 7.16291 | 0.499273 | standard |
| 7.18794 | 0.924465 | standard |
| 7.21524 | 0.659548 | standard |
| 7.24882 | 0.819818 | standard |
| 7.33805 | 0.348586 | standard |
| 7.37699 | 1.0 | standard |
| 7.41497 | 0.918789 | standard |
| 7.50487 | 0.759767 | standard |
| 7.57051 | 0.316478 | standard |
| 7.59369 | 0.496521 | standard |
| 7.66489 | 0.715593 | standard |
| 7.75148 | 0.519183 | standard |
| 7.81766 | 0.047969 | standard |
| 6.56913 | 0.900859 | standard |
| 6.60323 | 0.965506 | standard |
| 7.05129 | 0.16271 | standard |
| 7.13093 | 0.627835 | standard |
| 7.18908 | 0.97501 | standard |
| 7.20913 | 0.668001 | standard |
| 7.24742 | 0.823761 | standard |
| 7.32786 | 0.321641 | standard |
| 7.37876 | 1.0 | standard |
| 7.41296 | 0.932105 | standard |
| 7.50838 | 0.786505 | standard |
| 7.58709 | 0.50513 | standard |
| 7.66883 | 0.73586 | standard |
| 7.74629 | 0.557672 | standard |
| 7.80984 | 0.044144 | standard |
| 6.57794 | 0.960881 | standard |
| 6.59499 | 0.995482 | standard |
| 7.10128 | 0.278884 | standard |
| 7.14254 | 0.761057 | standard |
| 7.18171 | 0.715371 | standard |
| 7.2032 | 0.639218 | standard |
| 7.24208 | 0.830548 | standard |
| 7.28355 | 0.361181 | standard |
| 7.38699 | 1.0 | standard |
| 7.40414 | 0.965405 | standard |
| 7.45971 | 0.028598 | standard |
| 7.52433 | 0.968708 | standard |
| 7.56306 | 0.756052 | standard |
| 7.62157 | 0.022327 | standard |
| 7.68608 | 0.933656 | standard |
| 7.72479 | 0.814504 | standard |
| 6.58078 | 0.996969 | standard |
| 6.59214 | 0.996975 | standard |
| 7.11748 | 0.336958 | standard |
| 7.14503 | 0.843021 | standard |
| 7.17199 | 0.651794 | standard |
| 7.21409 | 0.59046 | standard |
| 7.24094 | 0.874618 | standard |
| 7.26859 | 0.396874 | standard |
| 7.38984 | 0.999238 | standard |
| 7.40121 | 0.999244 | standard |
| 7.5297 | 1.00005 | standard |
| 7.55618 | 0.845949 | standard |
| 7.69182 | 0.97636 | standard |
| 7.71827 | 0.890927 | standard |
| 6.58225 | 0.999047 | standard |
| 6.59077 | 0.99905 | standard |
| 7.12526 | 0.369184 | standard |
| 7.14594 | 0.87738 | standard |
| 7.16639 | 0.610006 | standard |
| 7.22008 | 0.562438 | standard |
| 7.24043 | 0.892237 | standard |
| 7.26121 | 0.415019 | standard |
| 7.39121 | 1.00031 | standard |
| 7.39974 | 1.00031 | standard |
| 7.53263 | 0.995988 | standard |
| 7.5527 | 0.875456 | standard |
| 7.6949 | 0.973651 | standard |
| 7.71495 | 0.906453 | standard |
| 6.58313 | 1.00042 | standard |
| 6.58989 | 1.00042 | standard |
| 7.12981 | 0.388432 | standard |
| 7.14641 | 0.891744 | standard |
| 7.16283 | 0.58341 | standard |
| 7.22384 | 0.54495 | standard |
| 7.24022 | 0.902475 | standard |
| 7.2568 | 0.426272 | standard |
| 7.39209 | 0.999282 | standard |
| 7.39895 | 0.999284 | standard |
| 7.53449 | 0.985532 | standard |
| 7.55065 | 0.888503 | standard |
| 7.69676 | 0.966648 | standard |
| 7.71292 | 0.913831 | standard |
| 6.58372 | 0.99985 | standard |
| 6.5894 | 0.99985 | standard |
| 7.13284 | 0.402922 | standard |
| 7.14666 | 0.899811 | standard |
| 7.1604 | 0.565756 | standard |
| 7.22637 | 0.533576 | standard |
| 7.24008 | 0.907125 | standard |
| 7.25393 | 0.43401 | standard |
| 7.39268 | 1.0004 | standard |
| 7.39837 | 1.00041 | standard |
| 7.53573 | 0.980197 | standard |
| 7.54921 | 0.898912 | standard |
| 7.69807 | 0.964162 | standard |
| 7.71153 | 0.920551 | standard |
| 6.58411 | 0.999986 | standard |
| 6.58901 | 0.999986 | standard |
| 7.13497 | 0.413751 | standard |
| 7.1468 | 0.905005 | standard |
| 7.15856 | 0.553605 | standard |
| 7.22825 | 0.525343 | standard |
| 7.24 | 0.911202 | standard |
| 7.25185 | 0.440041 | standard |
| 7.39307 | 1.00039 | standard |
| 7.39797 | 1.00039 | standard |
| 7.53667 | 0.976538 | standard |
| 7.54822 | 0.905528 | standard |
| 7.69899 | 0.961074 | standard |
| 7.71054 | 0.924221 | standard |
| 6.58421 | 1.00002 | standard |
| 6.58881 | 1.00002 | standard |
| 7.13576 | 0.426466 | standard |
| 7.14687 | 0.910616 | standard |
| 7.15782 | 0.538664 | standard |
| 7.22899 | 0.522734 | standard |
| 7.23998 | 0.913418 | standard |
| 7.251 | 0.443176 | standard |
| 7.39317 | 1.00038 | standard |
| 7.39778 | 1.00038 | standard |
| 7.53702 | 0.973834 | standard |
| 7.54785 | 0.908862 | standard |
| 7.69936 | 0.942536 | standard |
| 7.71014 | 0.943483 | standard |
| 6.58441 | 1.00012 | standard |
| 6.58862 | 1.00012 | standard |
| 7.13655 | 0.428438 | standard |
| 7.14689 | 0.91137 | standard |
| 7.15717 | 0.533749 | standard |
| 7.22964 | 0.517341 | standard |
| 7.23997 | 0.913677 | standard |
| 7.25031 | 0.443828 | standard |
| 7.39337 | 1.00043 | standard |
| 7.39758 | 1.00043 | standard |
| 7.53736 | 0.970254 | standard |
| 7.54747 | 0.909126 | standard |
| 7.69968 | 0.938861 | standard |
| 7.70984 | 0.940321 | standard |
| 6.5846 | 1.00014 | standard |
| 6.58842 | 1.00014 | standard |
| 7.13774 | 0.434799 | standard |
| 7.14696 | 0.914776 | standard |
| 7.15613 | 0.527636 | standard |
| 7.23073 | 0.51386 | standard |
| 7.2399 | 0.916624 | standard |
| 7.24912 | 0.448538 | standard |
| 7.39356 | 1.00039 | standard |
| 7.39739 | 1.00039 | standard |
| 7.53791 | 0.967645 | standard |
| 7.54693 | 0.913224 | standard |
| 7.70023 | 0.942927 | standard |
| 7.70925 | 0.942915 | standard |
| 6.5847 | 1.00017 | standard |
| 6.58832 | 1.00017 | standard |
| 7.13824 | 0.437087 | standard |
| 7.14699 | 0.90669 | standard |
| 7.15569 | 0.526063 | standard |
| 7.23118 | 0.512893 | standard |
| 7.2399 | 0.914546 | standard |
| 7.24862 | 0.450187 | standard |
| 7.39366 | 1.00039 | standard |
| 7.39729 | 1.00039 | standard |
| 7.53816 | 0.968473 | standard |
| 7.54668 | 0.916787 | standard |
| 7.70047 | 0.940928 | standard |
| 7.70905 | 0.943016 | standard |
| 6.5848 | 1.0002 | standard |
| 6.58823 | 1.0002 | standard |
| 7.13873 | 0.438922 | standard |
| 7.14703 | 0.918167 | standard |
| 7.15529 | 0.523383 | standard |
| 7.23162 | 0.509809 | standard |
| 7.23985 | 0.912003 | standard |
| 7.24818 | 0.450119 | standard |
| 7.39376 | 1.0004 | standard |
| 7.39719 | 1.0004 | standard |
| 7.53835 | 0.966614 | standard |
| 7.54648 | 0.917521 | standard |
| 7.70072 | 0.942736 | standard |
| 7.7088 | 0.9404 | standard |
| 6.58519 | 1.00028 | standard |
| 6.58783 | 1.00028 | standard |
| 7.14072 | 0.448252 | standard |
| 7.14707 | 0.925083 | standard |
| 7.15341 | 0.513247 | standard |
| 7.23346 | 0.503476 | standard |
| 7.23983 | 0.907634 | standard |
| 7.24625 | 0.457547 | standard |
| 7.39415 | 1.00039 | standard |
| 7.3968 | 1.00039 | standard |
| 7.53925 | 0.961609 | standard |
| 7.54549 | 0.923792 | standard |
| 7.70161 | 0.942995 | standard |
| 7.70786 | 0.942991 | standard |