1-Benzofuran-5-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02424 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H7NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2 | |
| Note 1 | COSY | |
| Note 2 | 15?11?12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-Benzofuran-5-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|
| 11 | 6.778 | 2.712 | 0 | 0 | 0.957 |
| 12 | 0 | 7.08 | 0 | 0 | 0 |
| 13 | 0 | 0 | 6.859 | 9.162 | 2.602 |
| 14 | 0 | 0 | 0 | 7.402 | 0 |
| 15 | 0 | 0 | 0 | 0 | 7.697 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.7767 | 0.839196 | standard |
| 6.78022 | 0.853405 | standard |
| 6.84948 | 0.498066 | standard |
| 6.8537 | 0.504812 | standard |
| 6.86475 | 0.53442 | standard |
| 6.86886 | 0.528044 | standard |
| 7.078 | 1.00025 | standard |
| 7.08232 | 1.00025 | standard |
| 7.39443 | 0.925017 | standard |
| 7.40971 | 0.875553 | standard |
| 7.69574 | 0.860915 | standard |
| 7.69915 | 0.860914 | standard |
| 6.75089 | 0.834311 | standard |
| 6.80368 | 0.848501 | standard |
| 6.91909 | 0.608956 | standard |
| 6.98101 | 0.723886 | standard |
| 7.04997 | 1.0 | standard |
| 7.116 | 0.689556 | standard |
| 7.31069 | 0.980961 | standard |
| 7.53944 | 0.474759 | standard |
| 7.67302 | 0.724937 | standard |
| 7.72073 | 0.65946 | standard |
| 6.75429 | 0.835395 | standard |
| 6.79412 | 1.0 | standard |
| 6.90394 | 0.506842 | standard |
| 6.94516 | 0.543881 | standard |
| 7.05969 | 0.856064 | standard |
| 7.10347 | 0.678447 | standard |
| 7.33617 | 0.865273 | standard |
| 7.48868 | 0.502317 | standard |
| 7.68137 | 0.678935 | standard |
| 7.71361 | 0.630237 | standard |
| 6.78839 | 1.0 | standard |
| 6.89468 | 0.516259 | standard |
| 6.92583 | 0.540506 | standard |
| 7.06454 | 0.898839 | standard |
| 7.09737 | 0.755478 | standard |
| 7.3507 | 0.891464 | standard |
| 7.46513 | 0.595688 | standard |
| 7.68517 | 0.730792 | standard |
| 7.7098 | 0.695132 | standard |
| 6.76793 | 0.674177 | standard |
| 6.78992 | 1.0 | standard |
| 6.89135 | 0.466992 | standard |
| 6.91903 | 0.485646 | standard |
| 7.06619 | 0.821269 | standard |
| 7.09541 | 0.703117 | standard |
| 7.35581 | 0.809508 | standard |
| 7.45754 | 0.563985 | standard |
| 7.68652 | 0.672377 | standard |
| 7.70842 | 0.643134 | standard |
| 6.768 | 0.682278 | standard |
| 6.79425 | 1.0 | standard |
| 6.82083 | 0.458639 | standard |
| 6.88862 | 0.482186 | standard |
| 6.91352 | 0.498907 | standard |
| 7.06755 | 0.855962 | standard |
| 7.0938 | 0.744605 | standard |
| 7.35992 | 0.836861 | standard |
| 7.45155 | 0.604371 | standard |
| 7.68758 | 0.705192 | standard |
| 7.70733 | 0.677163 | standard |
| 6.77305 | 0.802063 | standard |
| 6.78383 | 0.859208 | standard |
| 6.82909 | 0.473402 | standard |
| 6.84165 | 0.473158 | standard |
| 6.8749 | 0.546342 | standard |
| 6.88745 | 0.540333 | standard |
| 7.07365 | 1.00001 | standard |
| 7.08683 | 0.932288 | standard |
| 7.37996 | 0.943086 | standard |
| 7.42577 | 0.800083 | standard |
| 7.69247 | 0.835374 | standard |
| 7.70252 | 0.835334 | standard |
| 6.77476 | 0.819226 | standard |
| 6.78202 | 0.85358 | standard |
| 6.83944 | 0.479664 | standard |
| 6.84778 | 0.485026 | standard |
| 6.86987 | 0.53586 | standard |
| 6.87831 | 0.529644 | standard |
| 7.07578 | 1.00006 | standard |
| 7.08453 | 0.95442 | standard |
| 7.3871 | 0.929628 | standard |
| 7.41764 | 0.832954 | standard |
| 7.69405 | 0.842625 | standard |
| 7.70085 | 0.842613 | standard |
| 6.77571 | 0.829676 | standard |
| 6.78112 | 0.855337 | standard |
| 6.84446 | 0.486203 | standard |
| 6.85079 | 0.492521 | standard |
| 6.86736 | 0.53395 | standard |
| 6.87358 | 0.527713 | standard |
| 7.07683 | 1.0 | standard |
| 7.08348 | 0.965392 | standard |
| 7.39067 | 0.92478 | standard |
| 7.41357 | 0.851632 | standard |
| 7.6949 | 0.849309 | standard |
| 7.7 | 0.849303 | standard |
| 6.77616 | 0.855158 | standard |
| 6.78062 | 0.855291 | standard |
| 6.84752 | 0.499104 | standard |
| 6.85249 | 0.505666 | standard |
| 6.86575 | 0.53642 | standard |
| 6.87083 | 0.529906 | standard |
| 7.07751 | 1.00008 | standard |
| 7.08281 | 1.00007 | standard |
| 7.39295 | 0.933195 | standard |
| 7.41119 | 0.873656 | standard |
| 7.69539 | 0.868745 | standard |
| 7.69936 | 0.857159 | standard |
| 6.7767 | 0.839201 | standard |
| 6.78022 | 0.85341 | standard |
| 6.84948 | 0.498066 | standard |
| 6.8537 | 0.504813 | standard |
| 6.86475 | 0.534421 | standard |
| 6.86886 | 0.528045 | standard |
| 7.078 | 1.00025 | standard |
| 7.08232 | 1.00025 | standard |
| 7.39443 | 0.925015 | standard |
| 7.40971 | 0.87555 | standard |
| 7.69574 | 0.86092 | standard |
| 7.69915 | 0.860919 | standard |
| 6.77691 | 0.850067 | standard |
| 6.77996 | 0.850112 | standard |
| 6.85086 | 0.500248 | standard |
| 6.85451 | 0.507092 | standard |
| 6.86394 | 0.530479 | standard |
| 6.86759 | 0.523865 | standard |
| 7.07829 | 1.00067 | standard |
| 7.08204 | 1.00067 | standard |
| 7.39543 | 0.923915 | standard |
| 7.40852 | 0.881399 | standard |
| 7.69601 | 0.859467 | standard |
| 7.69893 | 0.876306 | standard |
| 6.77703 | 0.857161 | standard |
| 6.77984 | 0.857196 | standard |
| 6.85145 | 0.504094 | standard |
| 6.85481 | 0.510874 | standard |
| 6.86364 | 0.53286 | standard |
| 6.867 | 0.526304 | standard |
| 7.07838 | 1.00103 | standard |
| 7.08194 | 1.00103 | standard |
| 7.39592 | 0.925799 | standard |
| 7.40812 | 0.885976 | standard |
| 7.69612 | 0.865316 | standard |
| 7.69877 | 0.865315 | standard |
| 6.77703 | 0.854725 | standard |
| 6.77974 | 0.854756 | standard |
| 6.85194 | 0.502287 | standard |
| 6.85511 | 0.509196 | standard |
| 6.86334 | 0.529685 | standard |
| 6.8665 | 0.523028 | standard |
| 7.07848 | 1.00119 | standard |
| 7.08175 | 1.00118 | standard |
| 7.39622 | 0.921013 | standard |
| 7.40772 | 0.88381 | standard |
| 7.69612 | 0.863079 | standard |
| 7.69867 | 0.86308 | standard |
| 6.77728 | 0.850082 | standard |
| 6.77959 | 0.850103 | standard |
| 6.85273 | 0.509621 | standard |
| 6.85561 | 0.516519 | standard |
| 6.86294 | 0.519815 | standard |
| 6.86572 | 0.513051 | standard |
| 7.07867 | 1.00151 | standard |
| 7.08155 | 1.0015 | standard |
| 7.39691 | 0.901562 | standard |
| 7.40703 | 0.901562 | standard |
| 7.69638 | 0.86032 | standard |
| 7.69852 | 0.860319 | standard |
| 6.77726 | 0.85544 | standard |
| 6.77962 | 0.855459 | standard |
| 6.85313 | 0.516889 | standard |
| 6.85571 | 0.523393 | standard |
| 6.86274 | 0.519628 | standard |
| 6.86542 | 0.512903 | standard |
| 7.07876 | 1.00136 | standard |
| 7.08156 | 1.00136 | standard |
| 7.39711 | 0.904711 | standard |
| 7.40683 | 0.904711 | standard |
| 7.69634 | 0.864985 | standard |
| 7.69855 | 0.864985 | standard |
| 6.77741 | 0.848183 | standard |
| 6.77946 | 0.848198 | standard |
| 6.85342 | 0.513494 | standard |
| 6.85591 | 0.520084 | standard |
| 6.86253 | 0.516293 | standard |
| 6.86513 | 0.50942 | standard |
| 7.07886 | 1.00151 | standard |
| 7.08146 | 1.00151 | standard |
| 7.39741 | 0.90152 | standard |
| 7.40653 | 0.90152 | standard |
| 7.69634 | 0.875161 | standard |
| 7.69842 | 0.851065 | standard |
| 6.77766 | 0.839719 | standard |
| 6.77921 | 0.839726 | standard |
| 6.8548 | 0.514448 | standard |
| 6.85671 | 0.521046 | standard |
| 6.86183 | 0.521027 | standard |
| 6.86375 | 0.514414 | standard |
| 7.07915 | 1.00144 | standard |
| 7.08117 | 1.00144 | standard |
| 7.3984 | 0.903356 | standard |
| 7.40544 | 0.903356 | standard |
| 7.69659 | 0.874026 | standard |
| 7.69816 | 0.843677 | standard |