3-2-Hydroxyethyl-indole
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01905 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 | |
| Note 1 | qm |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-(2-hydroxyethyl)indole | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 13 | 14 | 16 | 15 | 21 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|---|---|
| 13 | 7.128 | 7.488 | 0.568 | 7.651 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 7.205 | 8.108 | 1.051 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 7.35 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.616 | 2.157 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 7.043 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 3.026 | -12.4 | 6.322 | 6.322 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 3.026 | 6.322 | 6.322 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.897 | -12.4 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.897 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.01369 | 0.506527 | standard |
| 3.02629 | 1.00016 | standard |
| 3.03895 | 0.520476 | standard |
| 3.88434 | 0.520731 | standard |
| 3.89692 | 0.999349 | standard |
| 3.9096 | 0.506276 | standard |
| 7.04139 | 0.555083 | standard |
| 7.04534 | 0.555145 | standard |
| 7.11224 | 0.178041 | standard |
| 7.12726 | 0.421375 | standard |
| 7.14233 | 0.272653 | standard |
| 7.19016 | 0.204407 | standard |
| 7.20529 | 0.357412 | standard |
| 7.22047 | 0.177969 | standard |
| 7.34251 | 0.474307 | standard |
| 7.35857 | 0.382578 | standard |
| 7.60883 | 0.267052 | standard |
| 7.62277 | 0.249982 | standard |
| 7.62398 | 0.247899 | standard |
| 2.86778 | 0.236716 | standard |
| 3.02038 | 0.653122 | standard |
| 3.16829 | 0.521953 | standard |
| 3.75494 | 0.521246 | standard |
| 3.9028 | 0.652941 | standard |
| 4.05555 | 0.237058 | standard |
| 7.01904 | 0.61116 | standard |
| 7.06954 | 0.713219 | standard |
| 7.24565 | 1.0 | standard |
| 7.50671 | 0.252502 | standard |
| 7.55993 | 0.266774 | standard |
| 7.61914 | 0.192459 | standard |
| 7.71317 | 0.1429 | standard |
| 2.91638 | 0.409689 | standard |
| 3.02122 | 1.0 | standard |
| 3.12461 | 0.681094 | standard |
| 3.79869 | 0.681159 | standard |
| 3.90201 | 0.998144 | standard |
| 4.00691 | 0.409729 | standard |
| 7.02711 | 0.70625 | standard |
| 7.06073 | 0.913886 | standard |
| 7.13055 | 0.363866 | standard |
| 7.15066 | 0.381562 | standard |
| 7.21243 | 0.85022 | standard |
| 7.22877 | 0.809213 | standard |
| 7.30217 | 0.775821 | standard |
| 7.33447 | 0.398866 | standard |
| 7.38183 | 0.213003 | standard |
| 7.41144 | 0.15216 | standard |
| 7.46327 | 0.131371 | standard |
| 7.53749 | 0.278149 | standard |
| 7.57185 | 0.334877 | standard |
| 7.60551 | 0.279518 | standard |
| 7.64284 | 0.236073 | standard |
| 7.67822 | 0.217657 | standard |
| 7.70632 | 0.155105 | standard |
| 2.94437 | 0.434224 | standard |
| 3.02306 | 1.0 | standard |
| 3.10144 | 0.625381 | standard |
| 3.8218 | 0.626645 | standard |
| 3.90017 | 0.997867 | standard |
| 3.97892 | 0.434225 | standard |
| 7.03055 | 0.665817 | standard |
| 7.0557 | 0.684129 | standard |
| 7.08897 | 0.341786 | standard |
| 7.11193 | 0.455115 | standard |
| 7.15331 | 0.425433 | standard |
| 7.20007 | 0.676777 | standard |
| 7.22355 | 0.562161 | standard |
| 7.30967 | 0.600864 | standard |
| 7.37588 | 0.158728 | standard |
| 7.39799 | 0.140987 | standard |
| 7.42477 | 0.128339 | standard |
| 7.4653 | 0.0448081 | standard |
| 7.55529 | 0.23811 | standard |
| 7.57983 | 0.303782 | standard |
| 7.59957 | 0.237863 | standard |
| 7.64099 | 0.206899 | standard |
| 7.66163 | 0.219605 | standard |
| 7.68427 | 0.156302 | standard |
| 2.95371 | 0.442277 | standard |
| 3.02368 | 1.0 | standard |
| 3.0935 | 0.611541 | standard |
| 3.82974 | 0.610336 | standard |
| 3.89954 | 0.999168 | standard |
| 3.96954 | 0.443297 | standard |
| 7.03248 | 0.652818 | standard |
| 7.05413 | 0.66206 | standard |
| 7.09861 | 0.304721 | standard |
| 7.11733 | 0.431886 | standard |
| 7.15604 | 0.447679 | standard |
| 7.19755 | 0.54392 | standard |
| 7.22109 | 0.487043 | standard |
| 7.27903 | 0.282081 | standard |
| 7.31314 | 0.514336 | standard |
| 7.37853 | 0.149177 | standard |
| 7.39315 | 0.146942 | standard |
| 7.41397 | 0.141931 | standard |
| 7.56162 | 0.229074 | standard |
| 7.58325 | 0.29827 | standard |
| 7.6182 | 0.206278 | standard |
| 7.64268 | 0.202063 | standard |
| 7.65596 | 0.223437 | standard |
| 7.67634 | 0.158109 | standard |
| 2.9612 | 0.448693 | standard |
| 3.02417 | 1.0 | standard |
| 3.08711 | 0.598481 | standard |
| 3.83618 | 0.598535 | standard |
| 3.89907 | 0.997762 | standard |
| 3.96209 | 0.448679 | standard |
| 7.03334 | 0.63586 | standard |
| 7.0528 | 0.669557 | standard |
| 7.11909 | 0.373272 | standard |
| 7.15816 | 0.461357 | standard |
| 7.18903 | 0.432259 | standard |
| 7.20247 | 0.439111 | standard |
| 7.21878 | 0.43919 | standard |
| 7.27453 | 0.265353 | standard |
| 7.31652 | 0.474711 | standard |
| 7.37967 | 0.150468 | standard |
| 7.38908 | 0.155585 | standard |
| 7.40573 | 0.155299 | standard |
| 7.48048 | 0.0207201 | standard |
| 7.56684 | 0.222883 | standard |
| 7.58621 | 0.297717 | standard |
| 7.61759 | 0.195114 | standard |
| 7.6513 | 0.228063 | standard |
| 7.66994 | 0.159715 | standard |
| 2.99427 | 0.47957 | standard |
| 3.02582 | 1.00009 | standard |
| 3.05743 | 0.551309 | standard |
| 3.86586 | 0.551384 | standard |
| 3.89742 | 0.997713 | standard |
| 3.92902 | 0.479509 | standard |
| 7.03834 | 0.565884 | standard |
| 7.04829 | 0.567439 | standard |
| 7.08676 | 0.136039 | standard |
| 7.12367 | 0.353495 | standard |
| 7.16285 | 0.407623 | standard |
| 7.20583 | 0.330163 | standard |
| 7.20953 | 0.333647 | standard |
| 7.24227 | 0.166774 | standard |
| 7.28308 | 0.0226193 | standard |
| 7.33267 | 0.460725 | standard |
| 7.37157 | 0.275119 | standard |
| 7.59888 | 0.293095 | standard |
| 7.63437 | 0.257583 | standard |
| 3.00512 | 0.49134 | standard |
| 3.02612 | 1.00022 | standard |
| 3.04722 | 0.53825 | standard |
| 3.87607 | 0.538406 | standard |
| 3.8971 | 0.998884 | standard |
| 3.91818 | 0.49119 | standard |
| 7.03999 | 0.556647 | standard |
| 7.04674 | 0.556978 | standard |
| 7.10104 | 0.152641 | standard |
| 7.12579 | 0.393853 | standard |
| 7.15052 | 0.296551 | standard |
| 7.18157 | 0.216243 | standard |
| 7.20608 | 0.343976 | standard |
| 7.23031 | 0.169432 | standard |
| 7.33811 | 0.476866 | standard |
| 7.36446 | 0.340211 | standard |
| 7.60397 | 0.276764 | standard |
| 7.62835 | 0.251779 | standard |
| 3.01047 | 0.504687 | standard |
| 3.02624 | 1.0001 | standard |
| 3.04207 | 0.522188 | standard |
| 3.88122 | 0.522393 | standard |
| 3.89697 | 0.999158 | standard |
| 3.91282 | 0.504488 | standard |
| 7.04082 | 0.553187 | standard |
| 7.04591 | 0.553315 | standard |
| 7.1081 | 0.168046 | standard |
| 7.12679 | 0.411617 | standard |
| 7.14553 | 0.281678 | standard |
| 7.18668 | 0.21053 | standard |
| 7.20553 | 0.353219 | standard |
| 7.22424 | 0.175308 | standard |
| 7.34077 | 0.474884 | standard |
| 7.36077 | 0.361309 | standard |
| 7.60729 | 0.269453 | standard |
| 7.62485 | 0.250465 | standard |
| 3.01369 | 0.50652 | standard |
| 3.02629 | 1.00016 | standard |
| 3.03895 | 0.520465 | standard |
| 3.88434 | 0.52072 | standard |
| 3.89692 | 0.999348 | standard |
| 3.9096 | 0.50627 | standard |
| 7.04139 | 0.555041 | standard |
| 7.04534 | 0.555104 | standard |
| 7.11224 | 0.17804 | standard |
| 7.12726 | 0.421357 | standard |
| 7.14233 | 0.272618 | standard |
| 7.19017 | 0.204369 | standard |
| 7.20529 | 0.357368 | standard |
| 7.22047 | 0.177944 | standard |
| 7.34251 | 0.474268 | standard |
| 7.35857 | 0.382572 | standard |
| 7.60883 | 0.266995 | standard |
| 7.62277 | 0.249933 | standard |
| 7.62398 | 0.247848 | standard |
| 3.01581 | 0.514366 | standard |
| 3.02632 | 1.00093 | standard |
| 3.03687 | 0.51275 | standard |
| 3.88637 | 0.514154 | standard |
| 3.89692 | 0.998004 | standard |
| 3.90748 | 0.514155 | standard |
| 7.04165 | 0.549766 | standard |
| 7.04508 | 0.549804 | standard |
| 7.115 | 0.183856 | standard |
| 7.12753 | 0.425973 | standard |
| 7.1401 | 0.266836 | standard |
| 7.19253 | 0.201114 | standard |
| 7.20526 | 0.364245 | standard |
| 7.21783 | 0.176588 | standard |
| 7.34368 | 0.469651 | standard |
| 7.35711 | 0.392513 | standard |
| 7.60904 | 0.262283 | standard |
| 7.61017 | 0.263113 | standard |
| 7.62166 | 0.250763 | standard |
| 7.62279 | 0.249824 | standard |
| 3.0173 | 0.514451 | standard |
| 3.02632 | 1.00126 | standard |
| 3.03533 | 0.51445 | standard |
| 3.88786 | 0.514451 | standard |
| 3.89687 | 1.00126 | standard |
| 3.90589 | 0.514451 | standard |
| 7.04193 | 0.553141 | standard |
| 7.04479 | 0.553163 | standard |
| 7.11698 | 0.190317 | standard |
| 7.12766 | 0.427649 | standard |
| 7.13847 | 0.258333 | standard |
| 7.19413 | 0.205592 | standard |
| 7.20521 | 0.365765 | standard |
| 7.21613 | 0.183788 | standard |
| 7.34457 | 0.469128 | standard |
| 7.35609 | 0.398559 | standard |
| 7.6099 | 0.260536 | standard |
| 7.61111 | 0.262505 | standard |
| 7.62087 | 0.252878 | standard |
| 3.01794 | 0.513735 | standard |
| 3.02637 | 1.0 | standard |
| 3.03479 | 0.513735 | standard |
| 3.88845 | 0.51299 | standard |
| 3.89687 | 0.998505 | standard |
| 3.9053 | 0.51299 | standard |
| 7.04203 | 0.551275 | standard |
| 7.0447 | 0.551293 | standard |
| 7.11772 | 0.193212 | standard |
| 7.12773 | 0.428169 | standard |
| 7.13783 | 0.257108 | standard |
| 7.1949 | 0.198252 | standard |
| 7.20513 | 0.367763 | standard |
| 7.2154 | 0.183749 | standard |
| 7.34492 | 0.460522 | standard |
| 7.35565 | 0.403097 | standard |
| 7.61027 | 0.259001 | standard |
| 7.61143 | 0.260995 | standard |
| 7.62055 | 0.252165 | standard |
| 3.01849 | 0.512944 | standard |
| 3.02637 | 1.0 | standard |
| 3.03424 | 0.512944 | standard |
| 3.889 | 0.513782 | standard |
| 3.89687 | 0.998159 | standard |
| 3.9048 | 0.512661 | standard |
| 7.04212 | 0.552308 | standard |
| 7.0446 | 0.552323 | standard |
| 7.11836 | 0.200708 | standard |
| 7.12781 | 0.426704 | standard |
| 7.13723 | 0.247855 | standard |
| 7.19552 | 0.197701 | standard |
| 7.20512 | 0.35911 | standard |
| 7.21464 | 0.179385 | standard |
| 7.34521 | 0.463388 | standard |
| 7.3553 | 0.409298 | standard |
| 7.61148 | 0.258159 | standard |
| 7.62026 | 0.25816 | standard |
| 3.01938 | 0.512835 | standard |
| 3.02637 | 1.0 | standard |
| 3.0334 | 0.513613 | standard |
| 3.88989 | 0.513921 | standard |
| 3.89687 | 0.997833 | standard |
| 3.90391 | 0.512534 | standard |
| 7.0422 | 0.546235 | standard |
| 7.04452 | 0.546246 | standard |
| 7.1195 | 0.204311 | standard |
| 7.12786 | 0.428035 | standard |
| 7.13629 | 0.245255 | standard |
| 7.19654 | 0.199506 | standard |
| 7.20507 | 0.364156 | standard |
| 7.21363 | 0.182792 | standard |
| 7.34574 | 0.46756 | standard |
| 7.3547 | 0.405169 | standard |
| 7.61132 | 0.255671 | standard |
| 7.61208 | 0.257367 | standard |
| 7.61965 | 0.257367 | standard |
| 7.62041 | 0.255671 | standard |
| 3.01973 | 0.513777 | standard |
| 3.02637 | 1.0 | standard |
| 3.033 | 0.513776 | standard |
| 3.89024 | 0.51255 | standard |
| 3.89687 | 0.997425 | standard |
| 3.90356 | 0.513442 | standard |
| 7.0423 | 0.550367 | standard |
| 7.04442 | 0.550376 | standard |
| 7.12 | 0.203991 | standard |
| 7.12788 | 0.430941 | standard |
| 7.13584 | 0.247798 | standard |
| 7.197 | 0.194266 | standard |
| 7.20504 | 0.362046 | standard |
| 7.21321 | 0.185584 | standard |
| 7.34593 | 0.462711 | standard |
| 7.35446 | 0.412988 | standard |
| 7.6114 | 0.252893 | standard |
| 7.61236 | 0.255069 | standard |
| 7.61937 | 0.255069 | standard |
| 7.62033 | 0.252893 | standard |
| 3.02007 | 0.512561 | standard |
| 3.02637 | 1.0 | standard |
| 3.03271 | 0.513566 | standard |
| 3.89058 | 0.513906 | standard |
| 3.89687 | 0.997315 | standard |
| 3.90322 | 0.512229 | standard |
| 7.04241 | 0.556354 | standard |
| 7.04432 | 0.55636 | standard |
| 7.12039 | 0.20341 | standard |
| 7.12791 | 0.431429 | standard |
| 7.13545 | 0.244788 | standard |
| 7.19739 | 0.196895 | standard |
| 7.20506 | 0.36259 | standard |
| 7.21277 | 0.181948 | standard |
| 7.34613 | 0.457917 | standard |
| 7.35426 | 0.411034 | standard |
| 7.61158 | 0.257171 | standard |
| 7.61237 | 0.256168 | standard |
| 7.61916 | 0.259399 | standard |
| 7.61987 | 0.254733 | standard |
| 3.02062 | 0.513713 | standard |
| 3.02637 | 1.0 | standard |
| 3.03211 | 0.513713 | standard |
| 3.89113 | 0.512089 | standard |
| 3.89687 | 0.996744 | standard |
| 3.90262 | 0.512089 | standard |
| 7.0425 | 0.557006 | standard |
| 7.04423 | 0.557011 | standard |
| 7.12109 | 0.201814 | standard |
| 7.12793 | 0.432406 | standard |
| 7.13481 | 0.245742 | standard |
| 7.19802 | 0.195946 | standard |
| 7.20505 | 0.363477 | standard |
| 7.21205 | 0.182539 | standard |
| 7.34648 | 0.461726 | standard |
| 7.35386 | 0.406471 | standard |
| 7.61197 | 0.257653 | standard |
| 7.61268 | 0.256328 | standard |
| 7.61885 | 0.259919 | standard |
| 3.02151 | 0.513755 | standard |
| 3.02637 | 1.0 | standard |
| 3.03122 | 0.513755 | standard |
| 3.89202 | 0.511467 | standard |
| 3.89687 | 0.995416 | standard |
| 3.90173 | 0.511467 | standard |
| 7.04258 | 0.54834 | standard |
| 7.04415 | 0.548344 | standard |
| 7.12222 | 0.204999 | standard |
| 7.12801 | 0.427893 | standard |
| 7.13381 | 0.236415 | standard |
| 7.19907 | 0.199194 | standard |
| 7.20505 | 0.36862 | standard |
| 7.211 | 0.187602 | standard |
| 7.34702 | 0.461768 | standard |
| 7.35327 | 0.424912 | standard |
| 7.61253 | 0.250868 | standard |
| 7.6133 | 0.253295 | standard |
| 7.61902 | 0.258833 | standard |