2-Indanone
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02115 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 | |
| Note 1 | 13,14?11,12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Indanone | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 15 | 16 | 17 | 18 | 13 | 11 | 12 | 14 | |
|---|---|---|---|---|---|---|---|---|
| 15 | 3.567 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 3.567 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 3.567 | -14.0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 3.567 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 0 | 7.301 | 7.431 | 1.891 | 0 |
| 11 | 0 | 0 | 0 | 0 | 0 | 7.267 | 7.412 | 1.891 |
| 12 | 0 | 0 | 0 | 0 | 0 | 0 | 7.267 | 7.431 |
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.301 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.56673 | 1.0 | standard |
| 7.25595 | 0.0663603 | standard |
| 7.26378 | 0.12468 | standard |
| 7.26788 | 0.0977591 | standard |
| 7.27438 | 0.186063 | standard |
| 7.2808 | 0.0468648 | standard |
| 7.28728 | 0.0468648 | standard |
| 7.2937 | 0.186063 | standard |
| 7.30019 | 0.0977591 | standard |
| 7.3043 | 0.12468 | standard |
| 7.31213 | 0.0663603 | standard |
| 3.56673 | 1.0 | standard |
| 7.28404 | 0.886784 | standard |
| 3.56673 | 1.0 | standard |
| 7.28404 | 0.805847 | standard |
| 3.56673 | 1.0 | standard |
| 7.17528 | 0.0121961 | standard |
| 7.28404 | 0.73588 | standard |
| 7.3928 | 0.0121951 | standard |
| 3.56673 | 1.0 | standard |
| 7.18619 | 0.0130691 | standard |
| 7.28404 | 0.704104 | standard |
| 7.38194 | 0.013069 | standard |
| 3.56673 | 1.0 | standard |
| 7.19551 | 0.0144242 | standard |
| 7.28404 | 0.671334 | standard |
| 7.37261 | 0.014424 | standard |
| 3.56673 | 1.0 | standard |
| 7.23533 | 0.028619 | standard |
| 7.25064 | 0.0392603 | standard |
| 7.28001 | 0.373913 | standard |
| 7.28806 | 0.373829 | standard |
| 7.31744 | 0.0392913 | standard |
| 7.33275 | 0.0286251 | standard |
| 3.56673 | 1.0 | standard |
| 7.24736 | 0.0429639 | standard |
| 7.26071 | 0.094558 | standard |
| 7.26867 | 0.0988132 | standard |
| 7.27812 | 0.270415 | standard |
| 7.28996 | 0.270415 | standard |
| 7.29941 | 0.0988132 | standard |
| 7.30737 | 0.094558 | standard |
| 7.32071 | 0.0429639 | standard |
| 3.56673 | 1.0 | standard |
| 7.25288 | 0.0558401 | standard |
| 7.26281 | 0.119835 | standard |
| 7.26811 | 0.0944332 | standard |
| 7.27588 | 0.203275 | standard |
| 7.28365 | 0.0933431 | standard |
| 7.28443 | 0.0933431 | standard |
| 7.2922 | 0.203275 | standard |
| 7.29996 | 0.0944332 | standard |
| 7.30527 | 0.119835 | standard |
| 7.3152 | 0.0558401 | standard |
| 3.56673 | 1.0 | standard |
| 7.25595 | 0.0663623 | standard |
| 7.26378 | 0.124675 | standard |
| 7.26788 | 0.0977392 | standard |
| 7.27438 | 0.186021 | standard |
| 7.2808 | 0.0468379 | standard |
| 7.28728 | 0.0468379 | standard |
| 7.2937 | 0.186021 | standard |
| 7.30019 | 0.0977392 | standard |
| 7.3043 | 0.124675 | standard |
| 7.31213 | 0.0663623 | standard |
| 3.56673 | 1.0 | standard |
| 7.25794 | 0.0759326 | standard |
| 7.26437 | 0.125114 | standard |
| 7.26607 | 0.111728 | standard |
| 7.2734 | 0.177411 | standard |
| 7.27881 | 0.0392376 | standard |
| 7.28926 | 0.0392306 | standard |
| 7.29468 | 0.177369 | standard |
| 7.30061 | 0.103909 | standard |
| 7.30369 | 0.126423 | standard |
| 7.31013 | 0.0759635 | standard |
| 3.56673 | 1.0 | standard |
| 7.25471 | 0.0139014 | standard |
| 7.25934 | 0.0843781 | standard |
| 7.26489 | 0.126892 | standard |
| 7.26672 | 0.117804 | standard |
| 7.27259 | 0.171671 | standard |
| 7.27739 | 0.0353111 | standard |
| 7.29069 | 0.0353061 | standard |
| 7.29549 | 0.171645 | standard |
| 7.30132 | 0.116789 | standard |
| 7.30326 | 0.126864 | standard |
| 7.30874 | 0.084449 | standard |
| 7.31337 | 0.0139134 | standard |
| 3.56673 | 1.0 | standard |
| 7.25546 | 0.0141784 | standard |
| 7.25988 | 0.0877991 | standard |
| 7.26501 | 0.127881 | standard |
| 7.26686 | 0.117885 | standard |
| 7.27224 | 0.170393 | standard |
| 7.27678 | 0.0338484 | standard |
| 7.2913 | 0.0338323 | standard |
| 7.29584 | 0.170264 | standard |
| 7.30116 | 0.121187 | standard |
| 7.30307 | 0.128383 | standard |
| 7.3082 | 0.0878263 | standard |
| 7.31262 | 0.0141863 | standard |
| 3.56673 | 1.0 | standard |
| 7.25613 | 0.0144443 | standard |
| 7.26037 | 0.0892865 | standard |
| 7.26515 | 0.127478 | standard |
| 7.26702 | 0.122406 | standard |
| 7.27194 | 0.165622 | standard |
| 7.27627 | 0.0326846 | standard |
| 7.29183 | 0.0334452 | standard |
| 7.29614 | 0.165642 | standard |
| 7.30105 | 0.122409 | standard |
| 7.30292 | 0.127479 | standard |
| 7.3077 | 0.0892808 | standard |
| 7.31196 | 0.0142192 | standard |
| 3.56673 | 1.0 | standard |
| 7.25742 | 0.0150669 | standard |
| 7.26111 | 0.0935886 | standard |
| 7.26538 | 0.129968 | standard |
| 7.2671 | 0.126618 | standard |
| 7.27144 | 0.166209 | standard |
| 7.27524 | 0.0310382 | standard |
| 7.29284 | 0.0310382 | standard |
| 7.29664 | 0.166209 | standard |
| 7.30098 | 0.126618 | standard |
| 7.3027 | 0.129968 | standard |
| 7.30697 | 0.0935886 | standard |
| 7.31066 | 0.0150669 | standard |
| 3.56673 | 1.0 | standard |
| 7.25789 | 0.015079 | standard |
| 7.26145 | 0.0970649 | standard |
| 7.26547 | 0.129319 | standard |
| 7.26719 | 0.128356 | standard |
| 7.27124 | 0.163144 | standard |
| 7.2749 | 0.031142 | standard |
| 7.29318 | 0.031142 | standard |
| 7.29684 | 0.163144 | standard |
| 7.30089 | 0.128356 | standard |
| 7.30261 | 0.129319 | standard |
| 7.30663 | 0.0970649 | standard |
| 7.31018 | 0.015079 | standard |
| 3.56673 | 1.0 | standard |
| 7.25828 | 0.0152729 | standard |
| 7.26174 | 0.0979743 | standard |
| 7.26556 | 0.130084 | standard |
| 7.26718 | 0.12755 | standard |
| 7.27104 | 0.160432 | standard |
| 7.2745 | 0.0304142 | standard |
| 7.29358 | 0.0304142 | standard |
| 7.29704 | 0.160432 | standard |
| 7.3009 | 0.12755 | standard |
| 7.30251 | 0.130084 | standard |
| 7.30633 | 0.0979743 | standard |
| 7.30979 | 0.0152729 | standard |
| 3.56673 | 1.0 | standard |
| 7.25906 | 0.0155297 | standard |
| 7.26224 | 0.0994862 | standard |
| 7.26565 | 0.129101 | standard |
| 7.26723 | 0.132482 | standard |
| 7.27069 | 0.159908 | standard |
| 7.27388 | 0.0294168 | standard |
| 7.2942 | 0.0294168 | standard |
| 7.29738 | 0.159908 | standard |
| 7.30085 | 0.132482 | standard |
| 7.30243 | 0.129101 | standard |
| 7.30584 | 0.0994862 | standard |
| 7.30901 | 0.0155297 | standard |
| 3.56673 | 1.0 | standard |
| 7.26026 | 0.016178 | standard |
| 7.26298 | 0.10461 | standard |
| 7.26589 | 0.132737 | standard |
| 7.26718 | 0.134985 | standard |
| 7.27015 | 0.157063 | standard |
| 7.27285 | 0.0279308 | standard |
| 7.29523 | 0.0279308 | standard |
| 7.29793 | 0.157063 | standard |
| 7.3009 | 0.134985 | standard |
| 7.30219 | 0.132737 | standard |
| 7.3051 | 0.10461 | standard |
| 7.30782 | 0.016178 | standard |