1-Indanone
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.05608 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 | |
| Note 1 | 12?13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-Indanone | 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 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|---|
| 11 | 7.464 | 7.388 | 7.5 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 7.745 | 0 | 7.363 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 7.725 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 7.63 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 3.202 | -14.0 | 5.719 | 5.719 |
| 16 | 0 | 0 | 0 | 0 | 0 | 3.202 | 5.719 | 5.719 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 2.771 | -14.0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.771 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.76086 | 0.49785 | standard |
| 2.77037 | 0.999853 | standard |
| 2.77992 | 0.537858 | standard |
| 3.19242 | 0.540401 | standard |
| 3.20193 | 1.0 | standard |
| 3.21143 | 0.497869 | standard |
| 7.45128 | 0.232829 | standard |
| 7.46364 | 0.49284 | standard |
| 7.47601 | 0.276888 | standard |
| 7.62358 | 0.446324 | standard |
| 7.63585 | 0.548448 | standard |
| 7.71858 | 0.525289 | standard |
| 7.73126 | 0.589092 | standard |
| 7.7455 | 0.499789 | standard |
| 7.75774 | 0.222684 | standard |
| 2.58861 | 0.0870822 | standard |
| 2.63661 | 0.114282 | standard |
| 2.70832 | 0.152386 | standard |
| 2.76696 | 0.374028 | standard |
| 2.88607 | 0.388714 | standard |
| 3.08622 | 0.388215 | standard |
| 3.20533 | 0.374057 | standard |
| 3.26397 | 0.1524 | standard |
| 3.33565 | 0.114267 | standard |
| 3.38383 | 0.087031 | standard |
| 7.23286 | 0.030385 | standard |
| 7.27496 | 0.0342671 | standard |
| 7.31781 | 0.0391151 | standard |
| 7.42569 | 0.116952 | standard |
| 7.58611 | 0.441552 | standard |
| 7.65985 | 1.0 | standard |
| 7.82872 | 0.108012 | standard |
| 7.98345 | 0.0299731 | standard |
| 2.67635 | 0.160404 | standard |
| 2.76694 | 0.456024 | standard |
| 2.85364 | 0.397985 | standard |
| 3.11868 | 0.397196 | standard |
| 3.20535 | 0.45584 | standard |
| 3.29604 | 0.160378 | standard |
| 7.33254 | 0.053217 | standard |
| 7.39785 | 0.0660851 | standard |
| 7.44929 | 0.168767 | standard |
| 7.55495 | 0.336817 | standard |
| 7.67494 | 1.0 | standard |
| 7.76124 | 0.221077 | standard |
| 7.79577 | 0.201367 | standard |
| 7.89582 | 0.051237 | standard |
| 2.69672 | 0.249937 | standard |
| 2.76696 | 0.648185 | standard |
| 2.83516 | 0.496166 | standard |
| 3.13719 | 0.497382 | standard |
| 3.20535 | 0.646685 | standard |
| 3.27557 | 0.249988 | standard |
| 7.36264 | 0.0925593 | standard |
| 7.45563 | 0.246661 | standard |
| 7.53688 | 0.318632 | standard |
| 7.57056 | 0.207444 | standard |
| 7.68405 | 1.0 | standard |
| 7.76086 | 0.332837 | standard |
| 7.77697 | 0.364886 | standard |
| 7.85467 | 0.0848691 | standard |
| 2.70431 | 0.290684 | standard |
| 2.76714 | 0.728262 | standard |
| 2.82868 | 0.531607 | standard |
| 3.14371 | 0.53169 | standard |
| 3.20515 | 0.728303 | standard |
| 3.26809 | 0.291488 | standard |
| 7.37418 | 0.111673 | standard |
| 7.45712 | 0.281 | standard |
| 7.52978 | 0.331971 | standard |
| 7.57857 | 0.205556 | standard |
| 7.65775 | 0.677566 | standard |
| 7.6886 | 1.0 | standard |
| 7.77033 | 0.445912 | standard |
| 7.84128 | 0.100744 | standard |
| 2.71076 | 0.324 | standard |
| 2.76747 | 0.78736 | standard |
| 2.82333 | 0.551752 | standard |
| 3.14896 | 0.551752 | standard |
| 3.20483 | 0.78735 | standard |
| 3.26156 | 0.322954 | standard |
| 7.38353 | 0.127374 | standard |
| 7.45813 | 0.308454 | standard |
| 7.52458 | 0.3406 | standard |
| 7.58423 | 0.218159 | standard |
| 7.6556 | 0.66573 | standard |
| 7.692 | 1.0 | standard |
| 7.76518 | 0.516595 | standard |
| 7.83077 | 0.113681 | standard |
| 2.74109 | 0.460879 | standard |
| 2.76957 | 0.999937 | standard |
| 2.79804 | 0.591031 | standard |
| 3.1743 | 0.589281 | standard |
| 3.20273 | 1.0 | standard |
| 3.2312 | 0.460888 | standard |
| 7.42483 | 0.200013 | standard |
| 7.46145 | 0.45867 | standard |
| 7.49797 | 0.33379 | standard |
| 7.60902 | 0.355267 | standard |
| 7.64533 | 0.660534 | standard |
| 7.70814 | 0.774554 | standard |
| 7.74709 | 0.738368 | standard |
| 7.78541 | 0.180812 | standard |
| 2.75112 | 0.477719 | standard |
| 2.77007 | 1.0 | standard |
| 2.78908 | 0.563764 | standard |
| 3.18321 | 0.563676 | standard |
| 3.20224 | 0.998413 | standard |
| 3.22127 | 0.477478 | standard |
| 7.43815 | 0.216009 | standard |
| 7.4628 | 0.489326 | standard |
| 7.48741 | 0.305531 | standard |
| 7.6165 | 0.403814 | standard |
| 7.64095 | 0.607353 | standard |
| 7.71283 | 0.591591 | standard |
| 7.72236 | 0.416886 | standard |
| 7.73777 | 0.527887 | standard |
| 7.74675 | 0.542849 | standard |
| 7.77126 | 0.198952 | standard |
| 2.75601 | 0.489249 | standard |
| 2.77024 | 1.00008 | standard |
| 2.78452 | 0.552824 | standard |
| 3.18777 | 0.552813 | standard |
| 3.20205 | 0.999994 | standard |
| 3.21633 | 0.48744 | standard |
| 7.44478 | 0.224123 | standard |
| 7.46332 | 0.493437 | standard |
| 7.4818 | 0.290798 | standard |
| 7.62014 | 0.425316 | standard |
| 7.63848 | 0.578022 | standard |
| 7.71562 | 0.550591 | standard |
| 7.72789 | 0.394502 | standard |
| 7.73429 | 0.52562 | standard |
| 7.74605 | 0.513057 | standard |
| 7.76443 | 0.209999 | standard |
| 2.75893 | 0.493275 | standard |
| 2.77034 | 1.00014 | standard |
| 2.7818 | 0.543962 | standard |
| 3.19059 | 0.544362 | standard |
| 3.20197 | 0.999042 | standard |
| 3.21336 | 0.493436 | standard |
| 7.4487 | 0.228853 | standard |
| 7.46352 | 0.492668 | standard |
| 7.47838 | 0.282094 | standard |
| 7.62222 | 0.437207 | standard |
| 7.63694 | 0.559655 | standard |
| 7.71739 | 0.534006 | standard |
| 7.73192 | 0.697403 | standard |
| 7.74572 | 0.503662 | standard |
| 7.76042 | 0.217268 | standard |
| 2.76086 | 0.497682 | standard |
| 2.77037 | 0.999853 | standard |
| 2.77992 | 0.537678 | standard |
| 3.19242 | 0.540219 | standard |
| 3.20193 | 1.0 | standard |
| 3.21143 | 0.497701 | standard |
| 7.45128 | 0.232548 | standard |
| 7.46364 | 0.492327 | standard |
| 7.47601 | 0.276677 | standard |
| 7.62358 | 0.446266 | standard |
| 7.63585 | 0.548257 | standard |
| 7.71858 | 0.525211 | standard |
| 7.73129 | 0.59054 | standard |
| 7.7455 | 0.499378 | standard |
| 7.75774 | 0.222385 | standard |
| 2.7623 | 0.510091 | standard |
| 2.77042 | 1.00113 | standard |
| 2.77858 | 0.526221 | standard |
| 3.19376 | 0.528334 | standard |
| 3.20188 | 1.00114 | standard |
| 3.21004 | 0.508044 | standard |
| 7.45311 | 0.23673 | standard |
| 7.46374 | 0.493018 | standard |
| 7.47437 | 0.271732 | standard |
| 7.62455 | 0.453073 | standard |
| 7.63506 | 0.540173 | standard |
| 7.71937 | 0.518869 | standard |
| 7.7301 | 0.504398 | standard |
| 7.73479 | 0.328408 | standard |
| 7.74535 | 0.498776 | standard |
| 7.75586 | 0.227898 | standard |
| 2.76284 | 0.509362 | standard |
| 2.77042 | 1.00131 | standard |
| 2.77804 | 0.528003 | standard |
| 3.19425 | 0.52798 | standard |
| 3.20188 | 1.00112 | standard |
| 3.2095 | 0.510927 | standard |
| 7.45385 | 0.239395 | standard |
| 7.46376 | 0.492964 | standard |
| 7.47368 | 0.268941 | standard |
| 7.62495 | 0.456391 | standard |
| 7.63476 | 0.537864 | standard |
| 7.71977 | 0.515356 | standard |
| 7.72969 | 0.498634 | standard |
| 7.73551 | 0.309749 | standard |
| 7.74535 | 0.498854 | standard |
| 7.75517 | 0.229705 | standard |
| 2.76329 | 0.51122 | standard |
| 2.77042 | 1.0013 | standard |
| 2.77759 | 0.524507 | standard |
| 3.19475 | 0.527223 | standard |
| 3.20188 | 1.00148 | standard |
| 3.209 | 0.511245 | standard |
| 7.45445 | 0.23928 | standard |
| 7.46376 | 0.493008 | standard |
| 7.47308 | 0.267845 | standard |
| 7.62524 | 0.458446 | standard |
| 7.63446 | 0.534868 | standard |
| 7.72006 | 0.514095 | standard |
| 7.72939 | 0.493898 | standard |
| 7.73612 | 0.299856 | standard |
| 7.74531 | 0.496821 | standard |
| 7.75447 | 0.230941 | standard |
| 2.76408 | 0.511289 | standard |
| 2.77044 | 1.00046 | standard |
| 2.77685 | 0.525049 | standard |
| 3.19554 | 0.525758 | standard |
| 3.20188 | 1.00039 | standard |
| 3.20821 | 0.511567 | standard |
| 7.45554 | 0.241605 | standard |
| 7.46381 | 0.495256 | standard |
| 7.47209 | 0.265152 | standard |
| 7.62584 | 0.462408 | standard |
| 7.63397 | 0.530288 | standard |
| 7.72056 | 0.510878 | standard |
| 7.72889 | 0.490982 | standard |
| 7.73702 | 0.288252 | standard |
| 7.74525 | 0.49693 | standard |
| 7.75343 | 0.232962 | standard |
| 2.76448 | 0.517646 | standard |
| 2.77047 | 1.0 | standard |
| 2.77645 | 0.517645 | standard |
| 3.19584 | 0.517157 | standard |
| 3.20188 | 0.997576 | standard |
| 3.20787 | 0.518717 | standard |
| 7.45603 | 0.245432 | standard |
| 7.46381 | 0.491745 | standard |
| 7.47164 | 0.261797 | standard |
| 7.62604 | 0.463137 | standard |
| 7.63377 | 0.527228 | standard |
| 7.72076 | 0.508689 | standard |
| 7.72859 | 0.48911 | standard |
| 7.73747 | 0.281255 | standard |
| 7.74525 | 0.494712 | standard |
| 7.75299 | 0.237141 | standard |
| 2.76477 | 0.517131 | standard |
| 2.77047 | 1.0 | standard |
| 2.77616 | 0.51713 | standard |
| 3.19613 | 0.516619 | standard |
| 3.20188 | 0.997324 | standard |
| 3.20757 | 0.518321 | standard |
| 7.45643 | 0.245214 | standard |
| 7.46381 | 0.488522 | standard |
| 7.4713 | 0.259818 | standard |
| 7.62623 | 0.463727 | standard |
| 7.63357 | 0.524981 | standard |
| 7.72096 | 0.503114 | standard |
| 7.72839 | 0.487978 | standard |
| 7.73782 | 0.277037 | standard |
| 7.74521 | 0.494193 | standard |
| 7.75259 | 0.237613 | standard |
| 2.76611 | 0.518578 | standard |
| 2.77046 | 1.0 | standard |
| 2.77487 | 0.515862 | standard |
| 3.19747 | 0.518577 | standard |
| 3.20183 | 1.0 | standard |
| 3.20623 | 0.515863 | standard |
| 7.45811 | 0.250381 | standard |
| 7.46391 | 0.49147 | standard |
| 7.46961 | 0.255216 | standard |
| 7.62713 | 0.471196 | standard |
| 7.63278 | 0.517986 | standard |
| 7.72175 | 0.498026 | standard |
| 7.7275 | 0.493804 | standard |
| 7.73951 | 0.269113 | standard |
| 7.74516 | 0.494709 | standard |
| 7.7508 | 0.241489 | standard |