1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.03063 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3 | |
| Note 1 | Has contamination | |
| Note 2 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-(1H-indol-3-yl)-N,N-dimethylmethanamine | solute | 100mM |
| Chloroform-d | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 14 | 2.294 | -12.4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 2.294 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 2.294 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 2.294 | 0 | -12.4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 2.294 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 2.294 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 7.119 | 7.119 | 8.209 | 0.825 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.179 | 0.825 | 8.613 | 0 | 0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.698 | 0 | 0 | 0 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.323 | 0 | 0 | 0 |
| 24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.501 | 0 | 0 |
| 25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.644 | -12.4 |
| 26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.644 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.303154 | standard |
| 7.10216 | 0.0216572 | standard |
| 7.10294 | 0.0219876 | standard |
| 7.11757 | 0.0489035 | standard |
| 7.13218 | 0.0344661 | standard |
| 7.13352 | 0.0338711 | standard |
| 7.16317 | 0.0306141 | standard |
| 7.16429 | 0.0312972 | standard |
| 7.17978 | 0.0451762 | standard |
| 7.1943 | 0.0249679 | standard |
| 7.19542 | 0.024421 | standard |
| 7.31473 | 0.0585805 | standard |
| 7.31597 | 0.0583815 | standard |
| 7.33175 | 0.046375 | standard |
| 7.33299 | 0.0463847 | standard |
| 7.68984 | 0.0551653 | standard |
| 7.69086 | 0.0554685 | standard |
| 7.70602 | 0.0531917 | standard |
| 7.70703 | 0.0528982 | standard |
| 8.5014 | 0.0141813 | standard |
| -0.933996 | 3.8125e-05 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.304009 | standard |
| 6.8376 | 0.002581 | standard |
| 6.92603 | 0.00882712 | standard |
| 6.98519 | 0.025012 | standard |
| 7.06484 | 0.037632 | standard |
| 7.17364 | 0.073571 | standard |
| 7.22785 | 0.174897 | standard |
| 7.30874 | 0.048971 | standard |
| 7.42989 | 0.0142441 | standard |
| 7.47691 | 0.00904913 | standard |
| 7.52824 | 0.022222 | standard |
| 7.60778 | 0.049614 | standard |
| 7.68011 | 0.036224 | standard |
| 7.73663 | 0.020487 | standard |
| 7.77228 | 0.0197411 | standard |
| 7.82212 | 0.024641 | standard |
| 7.88962 | 0.00661312 | standard |
| 8.5017 | 0.0148741 | standard |
| -0.919713 | 1.7125e-05 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.303468 | standard |
| 6.94021 | 0.00351312 | standard |
| 6.98673 | 0.00896625 | standard |
| 7.04912 | 0.0324891 | standard |
| 7.09064 | 0.039326 | standard |
| 7.13693 | 0.032593 | standard |
| 7.18046 | 0.0666151 | standard |
| 7.20876 | 0.111322 | standard |
| 7.2335 | 0.0632551 | standard |
| 7.27272 | 0.0954321 | standard |
| 7.31566 | 0.037228 | standard |
| 7.35029 | 0.017157 | standard |
| 7.3923 | 0.0129721 | standard |
| 7.44289 | 0.0100651 | standard |
| 7.55933 | 0.00743913 | standard |
| 7.58135 | 0.0114383 | standard |
| 7.63275 | 0.0498152 | standard |
| 7.67088 | 0.027609 | standard |
| 7.69626 | 0.025407 | standard |
| 7.71079 | 0.0235481 | standard |
| 7.74803 | 0.021118 | standard |
| 7.77936 | 0.03076 | standard |
| 7.82654 | 0.00614213 | standard |
| 7.86036 | 0.00330813 | standard |
| 8.5022 | 0.0145921 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302553 | standard |
| 6.9899 | 0.00474313 | standard |
| 7.01842 | 0.009575 | standard |
| 7.07223 | 0.0323083 | standard |
| 7.08497 | 0.035411 | standard |
| 7.09933 | 0.0404382 | standard |
| 7.13832 | 0.039293 | standard |
| 7.18628 | 0.0879026 | standard |
| 7.20327 | 0.0788076 | standard |
| 7.28061 | 0.0801144 | standard |
| 7.30796 | 0.0335901 | standard |
| 7.34377 | 0.0237291 | standard |
| 7.37514 | 0.0138013 | standard |
| 7.40537 | 0.0144451 | standard |
| 7.43693 | 0.00335012 | standard |
| 7.5754 | 0.00409212 | standard |
| 7.60833 | 0.00976613 | standard |
| 7.64717 | 0.04902 | standard |
| 7.67104 | 0.0277311 | standard |
| 7.70203 | 0.0327422 | standard |
| 7.73715 | 0.0225621 | standard |
| 7.75827 | 0.0340182 | standard |
| 7.79539 | 0.00604313 | standard |
| 7.83249 | 0.00226212 | standard |
| 8.5017 | 0.0144651 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302621 | standard |
| 7.00602 | 0.005418 | standard |
| 7.02933 | 0.00996 | standard |
| 7.07993 | 0.0321612 | standard |
| 7.10111 | 0.0457801 | standard |
| 7.13779 | 0.0460855 | standard |
| 7.18204 | 0.0935118 | standard |
| 7.20009 | 0.069732 | standard |
| 7.25438 | 0.040856 | standard |
| 7.28381 | 0.0723311 | standard |
| 7.30657 | 0.0337202 | standard |
| 7.33553 | 0.020387 | standard |
| 7.36944 | 0.014573 | standard |
| 7.39389 | 0.0166094 | standard |
| 7.42404 | 0.00340613 | standard |
| 7.58204 | 0.00325313 | standard |
| 7.61696 | 0.00913413 | standard |
| 7.65234 | 0.0485775 | standard |
| 7.67195 | 0.028331 | standard |
| 7.69988 | 0.0265873 | standard |
| 7.73353 | 0.0233551 | standard |
| 7.75134 | 0.0351498 | standard |
| 7.78538 | 0.00591913 | standard |
| 7.82317 | 0.00191213 | standard |
| 8.5018 | 0.0144241 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302847 | standard |
| 7.01891 | 0.006122 | standard |
| 7.03821 | 0.0103875 | standard |
| 7.08586 | 0.032146 | standard |
| 7.1042 | 0.0546441 | standard |
| 7.13898 | 0.0538354 | standard |
| 7.17962 | 0.0862279 | standard |
| 7.19755 | 0.063858 | standard |
| 7.24919 | 0.0296422 | standard |
| 7.25737 | 0.02846 | standard |
| 7.28698 | 0.0673075 | standard |
| 7.30569 | 0.0343333 | standard |
| 7.32866 | 0.019984 | standard |
| 7.34393 | 0.016747 | standard |
| 7.36487 | 0.015482 | standard |
| 7.38509 | 0.0186521 | standard |
| 7.41402 | 0.00340813 | standard |
| 7.5875 | 0.00264413 | standard |
| 7.62365 | 0.008474 | standard |
| 7.65657 | 0.0479112 | standard |
| 7.673 | 0.0290177 | standard |
| 7.69434 | 0.0229992 | standard |
| 7.70698 | 0.021619 | standard |
| 7.73069 | 0.0242501 | standard |
| 7.7458 | 0.0362235 | standard |
| 7.77779 | 0.005789 | standard |
| 7.81583 | 0.00163512 | standard |
| 8.5018 | 0.0143921 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302366 | standard |
| 7.07328 | 0.0124681 | standard |
| 7.07876 | 0.014594 | standard |
| 7.10822 | 0.0373972 | standard |
| 7.11388 | 0.0377421 | standard |
| 7.14352 | 0.0563747 | standard |
| 7.14903 | 0.0559452 | standard |
| 7.18154 | 0.0445012 | standard |
| 7.18636 | 0.046694 | standard |
| 7.21633 | 0.0224106 | standard |
| 7.22106 | 0.019426 | standard |
| 7.24134 | 0.00221313 | standard |
| 7.27226 | 0.00415723 | standard |
| 7.30287 | 0.0581022 | standard |
| 7.30915 | 0.0457124 | standard |
| 7.34347 | 0.0286702 | standard |
| 7.35015 | 0.031544 | standard |
| 7.3807 | 0.00145313 | standard |
| 7.64562 | 0.00242325 | standard |
| 7.67676 | 0.048698 | standard |
| 7.68268 | 0.0412201 | standard |
| 7.71573 | 0.0366306 | standard |
| 7.72128 | 0.0428834 | standard |
| 7.7524 | 0.001977 | standard |
| 8.5014 | 0.0142571 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302709 | standard |
| 7.08969 | 0.0163372 | standard |
| 7.09238 | 0.0174898 | standard |
| 7.11571 | 0.0445572 | standard |
| 7.13889 | 0.0380138 | standard |
| 7.14265 | 0.037788 | standard |
| 7.1526 | 0.0314998 | standard |
| 7.15623 | 0.0332999 | standard |
| 7.18066 | 0.0465523 | standard |
| 7.18314 | 0.0438156 | standard |
| 7.20425 | 0.0233432 | standard |
| 7.20675 | 0.0218925 | standard |
| 7.27199 | 0.00109313 | standard |
| 7.30925 | 0.0578182 | standard |
| 7.31248 | 0.0554386 | standard |
| 7.33702 | 0.0396363 | standard |
| 7.34021 | 0.0393488 | standard |
| 7.68399 | 0.0520232 | standard |
| 7.68694 | 0.0513114 | standard |
| 7.7104 | 0.0468654 | standard |
| 7.71333 | 0.0475833 | standard |
| 8.5014 | 0.0142141 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.303198 | standard |
| 7.09753 | 0.0193112 | standard |
| 7.09898 | 0.019875 | standard |
| 7.11691 | 0.048258 | standard |
| 7.13496 | 0.035806 | standard |
| 7.137 | 0.0350374 | standard |
| 7.15914 | 0.0299984 | standard |
| 7.16117 | 0.0313575 | standard |
| 7.18006 | 0.0461166 | standard |
| 7.19812 | 0.0245181 | standard |
| 7.19955 | 0.0237372 | standard |
| 7.31268 | 0.0587893 | standard |
| 7.31442 | 0.058139 | standard |
| 7.33379 | 0.04392 | standard |
| 7.33564 | 0.0437296 | standard |
| 7.68764 | 0.0541705 | standard |
| 7.68931 | 0.0542033 | standard |
| 7.70771 | 0.0501838 | standard |
| 7.70946 | 0.0502116 | standard |
| 8.5014 | 0.0141931 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.303153 | standard |
| 7.10197 | 0.0211062 | standard |
| 7.10309 | 0.0215211 | standard |
| 7.11757 | 0.0489004 | standard |
| 7.13218 | 0.0344581 | standard |
| 7.13352 | 0.0338634 | standard |
| 7.16317 | 0.0306077 | standard |
| 7.16429 | 0.0312911 | standard |
| 7.17978 | 0.0451693 | standard |
| 7.1943 | 0.0249647 | standard |
| 7.19542 | 0.0244177 | standard |
| 7.31473 | 0.0585704 | standard |
| 7.31597 | 0.0583715 | standard |
| 7.33175 | 0.04637 | standard |
| 7.33299 | 0.0463802 | standard |
| 7.68984 | 0.0551562 | standard |
| 7.69086 | 0.0554602 | standard |
| 7.70602 | 0.0531844 | standard |
| 7.70704 | 0.0528908 | standard |
| 8.5014 | 0.0141813 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302943 | standard |
| 7.10495 | 0.0225859 | standard |
| 7.10567 | 0.0228536 | standard |
| 7.11782 | 0.0496438 | standard |
| 7.13024 | 0.0341118 | standard |
| 7.13096 | 0.0337886 | standard |
| 7.16587 | 0.0306938 | standard |
| 7.16657 | 0.0311038 | standard |
| 7.17968 | 0.044471 | standard |
| 7.19182 | 0.0257733 | standard |
| 7.19253 | 0.0254348 | standard |
| 7.31611 | 0.058852 | standard |
| 7.31697 | 0.058723 | standard |
| 7.33043 | 0.0491653 | standard |
| 7.33117 | 0.0491386 | standard |
| 7.69128 | 0.05537 | standard |
| 7.69202 | 0.055443 | standard |
| 7.70478 | 0.0533677 | standard |
| 7.70564 | 0.0533384 | standard |
| 8.50135 | 0.014173 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302579 | standard |
| 7.10694 | 0.0233681 | standard |
| 7.1076 | 0.0235983 | standard |
| 7.11802 | 0.0507229 | standard |
| 7.1287 | 0.0329355 | standard |
| 7.12937 | 0.0326719 | standard |
| 7.16764 | 0.0300199 | standard |
| 7.1683 | 0.0303547 | standard |
| 7.1796 | 0.0440431 | standard |
| 7.18999 | 0.0258448 | standard |
| 7.19065 | 0.0255568 | standard |
| 7.31722 | 0.0597487 | standard |
| 7.31773 | 0.0596799 | standard |
| 7.32938 | 0.0496759 | standard |
| 7.33004 | 0.0496419 | standard |
| 7.69221 | 0.0549341 | standard |
| 7.69287 | 0.0550066 | standard |
| 7.7039 | 0.0542462 | standard |
| 7.70456 | 0.0540335 | standard |
| 8.50135 | 0.014167 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302805 | standard |
| 7.10821 | 0.024906 | standard |
| 7.11814 | 0.0501873 | standard |
| 7.1281 | 0.0324538 | standard |
| 7.12868 | 0.0322286 | standard |
| 7.16843 | 0.0300255 | standard |
| 7.169 | 0.0302932 | standard |
| 7.17945 | 0.0434376 | standard |
| 7.18938 | 0.0270841 | standard |
| 7.31757 | 0.0587282 | standard |
| 7.31815 | 0.0587203 | standard |
| 7.32898 | 0.0502835 | standard |
| 7.32955 | 0.0502487 | standard |
| 7.69275 | 0.0558129 | standard |
| 7.69315 | 0.0558052 | standard |
| 7.70363 | 0.0558062 | standard |
| 7.70403 | 0.0558139 | standard |
| 8.50135 | 0.014165 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302759 | standard |
| 7.10856 | 0.0242622 | standard |
| 7.10899 | 0.0244342 | standard |
| 7.11818 | 0.0492962 | standard |
| 7.12751 | 0.0324656 | standard |
| 7.12797 | 0.0322866 | standard |
| 7.16918 | 0.03018 | standard |
| 7.16959 | 0.0304015 | standard |
| 7.17946 | 0.0430443 | standard |
| 7.1886 | 0.0264227 | standard |
| 7.18901 | 0.0262241 | standard |
| 7.31798 | 0.0590912 | standard |
| 7.31844 | 0.0590909 | standard |
| 7.32869 | 0.0510833 | standard |
| 7.32915 | 0.051054 | standard |
| 7.69301 | 0.055263 | standard |
| 7.69347 | 0.0553121 | standard |
| 7.70321 | 0.0553131 | standard |
| 7.70367 | 0.0552639 | standard |
| 8.50135 | 0.014163 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.30269 | standard |
| 7.10966 | 0.0243922 | standard |
| 7.11013 | 0.0245774 | standard |
| 7.11824 | 0.0510209 | standard |
| 7.12657 | 0.0316356 | standard |
| 7.12704 | 0.0314309 | standard |
| 7.17017 | 0.0295882 | standard |
| 7.17063 | 0.0298172 | standard |
| 7.17933 | 0.0430161 | standard |
| 7.18767 | 0.027583 | standard |
| 7.31858 | 0.059509 | standard |
| 7.31883 | 0.0594219 | standard |
| 7.32803 | 0.0510318 | standard |
| 7.32852 | 0.0509526 | standard |
| 7.69385 | 0.0575303 | standard |
| 7.70265 | 0.0547526 | standard |
| 7.70314 | 0.0546511 | standard |
| 8.50135 | 0.01416 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302663 | standard |
| 7.11049 | 0.0252771 | standard |
| 7.11837 | 0.0497853 | standard |
| 7.12621 | 0.0321351 | standard |
| 7.17099 | 0.0303595 | standard |
| 7.17936 | 0.0427568 | standard |
| 7.1871 | 0.026979 | standard |
| 7.31866 | 0.0564824 | standard |
| 7.31924 | 0.0565035 | standard |
| 7.32789 | 0.0524351 | standard |
| 7.32815 | 0.0524131 | standard |
| 7.6939 | 0.0560053 | standard |
| 7.69416 | 0.0560378 | standard |
| 7.70252 | 0.0560389 | standard |
| 7.70278 | 0.0560053 | standard |
| 8.50135 | 0.014158 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.30264 | standard |
| 7.11083 | 0.0262176 | standard |
| 7.11836 | 0.0498304 | standard |
| 7.12597 | 0.0329402 | standard |
| 7.17101 | 0.0294038 | standard |
| 7.17144 | 0.0295814 | standard |
| 7.17939 | 0.0430279 | standard |
| 7.18666 | 0.026447 | standard |
| 7.18708 | 0.0262794 | standard |
| 7.31906 | 0.0593286 | standard |
| 7.32751 | 0.0514012 | standard |
| 7.32794 | 0.0513602 | standard |
| 7.69429 | 0.0578621 | standard |
| 7.70224 | 0.0547401 | standard |
| 7.70267 | 0.0546822 | standard |
| 8.50135 | 0.014157 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302604 | standard |
| 7.1113 | 0.0252493 | standard |
| 7.11163 | 0.0253647 | standard |
| 7.11835 | 0.0511419 | standard |
| 7.12537 | 0.0331588 | standard |
| 7.17194 | 0.0315392 | standard |
| 7.17921 | 0.0441499 | standard |
| 7.18596 | 0.0268216 | standard |
| 7.18627 | 0.0266613 | standard |
| 7.31939 | 0.0580668 | standard |
| 7.31971 | 0.0580877 | standard |
| 7.32733 | 0.0556449 | standard |
| 7.69451 | 0.0552578 | standard |
| 7.69484 | 0.0553053 | standard |
| 7.70194 | 0.0553062 | standard |
| 7.70227 | 0.0552578 | standard |
| 8.50135 | 0.014155 | standard |
| 2.29397 | 1.0 | standard |
| 3.6444 | 0.302554 | standard |
| 7.11245 | 0.0252442 | standard |
| 7.11277 | 0.0253642 | standard |
| 7.11849 | 0.0498801 | standard |
| 7.12422 | 0.030205 | standard |
| 7.12454 | 0.0300851 | standard |
| 7.17285 | 0.0288192 | standard |
| 7.17318 | 0.0289497 | standard |
| 7.17927 | 0.0432645 | standard |
| 7.18502 | 0.0285025 | standard |
| 7.31993 | 0.0566692 | standard |
| 7.32026 | 0.0567008 | standard |
| 7.32657 | 0.051828 | standard |
| 7.3269 | 0.0517857 | standard |
| 7.69506 | 0.0543315 | standard |
| 7.69538 | 0.0543878 | standard |
| 7.70151 | 0.0585396 | standard |
| 8.50135 | 0.014152 | standard |