Indole
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01923 | |
| 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 | 12?13 | |
| Note 2 | 10?11 | |
| Note 3 | 14?15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Indole | Solute | 100mM |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.03%V |
Spin System Matrix
| 10 | 11 | 13 | 12 | 15 | 14 | |
|---|---|---|---|---|---|---|
| 10 | 7.193 | 7.572 | 0 | 8.119 | 0 | 0 |
| 11 | 0 | 7.12 | 7.816 | 0 | 0 | 0 |
| 13 | 0 | 0 | 7.649 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.365 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 7.166 | 2.868 |
| 14 | 0 | 0 | 0 | 0 | 0 | 6.55 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.979225 | 2.125e-06 | standard |
| 6.54698 | 0.77947 | standard |
| 6.55274 | 0.779474 | standard |
| 7.09942 | 0.265036 | standard |
| 7.11826 | 0.618475 | standard |
| 7.13727 | 0.467074 | standard |
| 7.16385 | 0.866417 | standard |
| 7.17033 | 1.00004 | standard |
| 7.1936 | 0.648754 | standard |
| 7.21268 | 0.31591 | standard |
| 7.35588 | 0.691057 | standard |
| 7.37573 | 0.559468 | standard |
| 7.63972 | 0.653515 | standard |
| 7.65883 | 0.612008 | standard |
| -0.997872 | 6.7125e-05 | standard |
| 6.52189 | 0.327298 | standard |
| 6.5788 | 0.367984 | standard |
| 7.21628 | 1.0 | standard |
| 7.57133 | 0.296775 | standard |
| 7.74332 | 0.165627 | standard |
| -0.996682 | 3.6125e-05 | standard |
| 6.53077 | 0.393446 | standard |
| 6.56919 | 0.425246 | standard |
| 7.15051 | 0.771723 | standard |
| 7.19794 | 1.0 | standard |
| 7.3142 | 0.53194 | standard |
| 7.597 | 0.309158 | standard |
| 7.65217 | 0.228082 | standard |
| 7.71327 | 0.215284 | standard |
| -0.987854 | 2.3125e-05 | standard |
| 6.53541 | 0.451448 | standard |
| 6.56441 | 0.478225 | standard |
| 7.15067 | 0.890443 | standard |
| 7.18784 | 1.0 | standard |
| 7.28577 | 0.352389 | standard |
| 7.32747 | 0.451932 | standard |
| 7.60905 | 0.342387 | standard |
| 7.69688 | 0.259543 | standard |
| -0.977142 | 1.9125e-05 | standard |
| 6.5371 | 0.478933 | standard |
| 6.56278 | 0.503683 | standard |
| 7.02903 | 0.113045 | standard |
| 7.15171 | 0.954424 | standard |
| 7.18339 | 1.0 | standard |
| 7.28009 | 0.319591 | standard |
| 7.33223 | 0.451049 | standard |
| 7.41363 | 0.199897 | standard |
| 7.61304 | 0.362147 | standard |
| 7.69131 | 0.279666 | standard |
| -0.976348 | 1.6125e-05 | standard |
| 6.53824 | 0.496286 | standard |
| 6.56154 | 0.518637 | standard |
| 7.03607 | 0.118166 | standard |
| 7.1528 | 1.0 | standard |
| 7.17936 | 0.98497 | standard |
| 7.27165 | 0.275984 | standard |
| 7.33548 | 0.455001 | standard |
| 7.40949 | 0.219127 | standard |
| 7.6164 | 0.377388 | standard |
| 7.68692 | 0.298862 | standard |
| -0.876071 | 4.125e-06 | standard |
| 6.54406 | 0.517316 | standard |
| 6.55573 | 0.529211 | standard |
| 7.07752 | 0.149087 | standard |
| 7.11444 | 0.403815 | standard |
| 7.1584 | 1.00001 | standard |
| 7.19493 | 0.498775 | standard |
| 7.23264 | 0.211665 | standard |
| 7.34862 | 0.482879 | standard |
| 7.38632 | 0.327135 | standard |
| 7.6317 | 0.440162 | standard |
| 7.6679 | 0.385325 | standard |
| -0.705272 | 2.125e-06 | standard |
| 6.54602 | 0.65327 | standard |
| 6.5537 | 0.653279 | standard |
| 7.09223 | 0.207298 | standard |
| 7.11719 | 0.513831 | standard |
| 7.14248 | 0.469896 | standard |
| 7.16932 | 1.00002 | standard |
| 7.19409 | 0.563001 | standard |
| 7.21939 | 0.263637 | standard |
| 7.35321 | 0.593382 | standard |
| 7.37927 | 0.44734 | standard |
| 7.63686 | 0.551294 | standard |
| 7.66196 | 0.506566 | standard |
| -0.978828 | 2.125e-06 | standard |
| 6.54698 | 0.779435 | standard |
| 6.55274 | 0.77944 | standard |
| 7.09936 | 0.265012 | standard |
| 7.11826 | 0.618327 | standard |
| 7.13727 | 0.467066 | standard |
| 7.16385 | 0.866429 | standard |
| 7.17033 | 1.00004 | standard |
| 7.1936 | 0.648689 | standard |
| 7.21268 | 0.31588 | standard |
| 7.35588 | 0.690977 | standard |
| 7.37573 | 0.559373 | standard |
| 7.63972 | 0.653434 | standard |
| 7.65883 | 0.611921 | standard |
| -0.458596 | 1.125e-06 | standard |
| 6.54753 | 0.91709 | standard |
| 6.5522 | 0.917092 | standard |
| 7.10364 | 0.326769 | standard |
| 7.11875 | 0.734309 | standard |
| 7.13402 | 0.506893 | standard |
| 7.16422 | 0.966775 | standard |
| 7.16899 | 1.0 | standard |
| 7.17716 | 0.604502 | standard |
| 7.19329 | 0.752387 | standard |
| 7.20865 | 0.374133 | standard |
| 7.35759 | 0.802131 | standard |
| 7.37356 | 0.677015 | standard |
| 7.64152 | 0.765728 | standard |
| 7.65691 | 0.725809 | standard |
| -0.640801 | 1.125e-06 | standard |
| 6.54794 | 0.963378 | standard |
| 6.55178 | 0.963379 | standard |
| 7.10644 | 0.352756 | standard |
| 7.11908 | 0.7728 | standard |
| 7.13179 | 0.505859 | standard |
| 7.16447 | 0.987434 | standard |
| 7.16849 | 1.0 | standard |
| 7.17998 | 0.52889 | standard |
| 7.19313 | 0.781464 | standard |
| 7.20595 | 0.394037 | standard |
| 7.3588 | 0.831363 | standard |
| 7.37213 | 0.721172 | standard |
| 7.64278 | 0.798786 | standard |
| 7.65561 | 0.764279 | standard |
| -0.835405 | 1.125e-06 | standard |
| 6.54828 | 0.97275 | standard |
| 6.55155 | 0.972751 | standard |
| 7.10835 | 0.363432 | standard |
| 7.11923 | 0.780559 | standard |
| 7.1301 | 0.49376 | standard |
| 7.16483 | 0.994298 | standard |
| 7.1681 | 1.00001 | standard |
| 7.18183 | 0.493453 | standard |
| 7.19306 | 0.783303 | standard |
| 7.20408 | 0.398758 | standard |
| 7.35964 | 0.830859 | standard |
| 7.37115 | 0.734995 | standard |
| 7.64364 | 0.80261 | standard |
| 7.65467 | 0.772931 | standard |
| -0.924375 | 1.125e-06 | standard |
| 6.54833 | 0.977314 | standard |
| 6.55149 | 0.977315 | standard |
| 7.10914 | 0.377883 | standard |
| 7.11927 | 0.79049 | standard |
| 7.12951 | 0.484857 | standard |
| 7.16488 | 0.99575 | standard |
| 7.16804 | 1.00021 | standard |
| 7.18254 | 0.487438 | standard |
| 7.19301 | 0.788953 | standard |
| 7.20329 | 0.403954 | standard |
| 7.35999 | 0.83712 | standard |
| 7.37075 | 0.746778 | standard |
| 7.64401 | 0.796392 | standard |
| 7.65433 | 0.796039 | standard |
| 6.54842 | 0.990445 | standard |
| 6.5513 | 0.990446 | standard |
| 7.10983 | 0.383356 | standard |
| 7.11932 | 0.796888 | standard |
| 7.12892 | 0.483771 | standard |
| 7.16494 | 0.996544 | standard |
| 7.16797 | 1.00004 | standard |
| 7.18314 | 0.482279 | standard |
| 7.19297 | 0.793695 | standard |
| 7.20265 | 0.407618 | standard |
| 7.36028 | 0.84091 | standard |
| 7.37036 | 0.755521 | standard |
| 7.64431 | 0.802442 | standard |
| 7.65398 | 0.802431 | standard |
| 6.54858 | 0.996669 | standard |
| 6.55114 | 0.996669 | standard |
| 7.11091 | 0.389616 | standard |
| 7.1194 | 0.802496 | standard |
| 7.12793 | 0.479021 | standard |
| 7.1651 | 0.997837 | standard |
| 7.16781 | 1.00004 | standard |
| 7.18419 | 0.473039 | standard |
| 7.19294 | 0.795808 | standard |
| 7.20157 | 0.411246 | standard |
| 7.36083 | 0.842036 | standard |
| 7.36979 | 0.765168 | standard |
| 7.64482 | 0.806993 | standard |
| 7.65344 | 0.806861 | standard |
| 6.54865 | 0.987433 | standard |
| 6.55117 | 0.987433 | standard |
| 7.1114 | 0.391036 | standard |
| 7.11945 | 0.801631 | standard |
| 7.12748 | 0.476068 | standard |
| 7.16519 | 0.998344 | standard |
| 7.16772 | 1.0001 | standard |
| 7.18468 | 0.468332 | standard |
| 7.19294 | 0.792708 | standard |
| 7.20107 | 0.411766 | standard |
| 7.36102 | 0.839175 | standard |
| 7.36952 | 0.766731 | standard |
| 7.64505 | 0.806053 | standard |
| 7.65319 | 0.8066 | standard |
| 6.54874 | 0.988986 | standard |
| 6.55108 | 0.988986 | standard |
| 7.11185 | 0.39101 | standard |
| 7.11948 | 0.80002 | standard |
| 7.12709 | 0.471603 | standard |
| 7.16529 | 0.998721 | standard |
| 7.16762 | 1.00012 | standard |
| 7.18508 | 0.462878 | standard |
| 7.1929 | 0.789734 | standard |
| 7.20068 | 0.410205 | standard |
| 7.36122 | 0.833827 | standard |
| 7.36932 | 0.765234 | standard |
| 7.64524 | 0.802613 | standard |
| 7.65299 | 0.803218 | standard |
| 6.54883 | 1.00032 | standard |
| 6.55089 | 1.00032 | standard |
| 7.11259 | 0.39713 | standard |
| 7.11948 | 0.8045 | standard |
| 7.1265 | 0.468829 | standard |
| 7.16535 | 0.994604 | standard |
| 7.16756 | 0.995647 | standard |
| 7.18578 | 0.46022 | standard |
| 7.19287 | 0.794408 | standard |
| 7.19989 | 0.414338 | standard |
| 7.36162 | 0.836522 | standard |
| 7.36893 | 0.773778 | standard |
| 7.64559 | 0.807866 | standard |
| 7.65267 | 0.807305 | standard |
| 6.54899 | 1.00012 | standard |
| 6.55073 | 1.00012 | standard |
| 7.11367 | 0.400723 | standard |
| 7.11958 | 0.803854 | standard |
| 7.12541 | 0.463142 | standard |
| 7.16551 | 0.989565 | standard |
| 7.1674 | 0.990157 | standard |
| 7.18681 | 0.452054 | standard |
| 7.19281 | 0.794502 | standard |
| 7.1988 | 0.415108 | standard |
| 7.36211 | 0.831241 | standard |
| 7.36833 | 0.77809 | standard |
| 7.64613 | 0.80684 | standard |
| 7.6521 | 0.807881 | standard |