4-4-Dichlorobenzophenone
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01247 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H | |
| Note 1 | 21,22,23,24?17,18,19,20 | |
| Note 2 | shows Cl isotope effects ? |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4,4-dichlorobenzophenone | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 21 | 17 | 18 | 22 | 23 | 19 | 20 | 24 | |
|---|---|---|---|---|---|---|---|---|
| 21 | 7.724 | 8.434 | 0 | 2.0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 7.469 | 2.0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 7.469 | 8.434 | 0 | 0 | 0 | 0 |
| 22 | 0 | 0 | 0 | 7.724 | 0 | 0 | 0 | 0 |
| 23 | 0 | 0 | 0 | 0 | 7.724 | 8.434 | 0 | 2.0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 7.469 | 2.0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 7.469 | 8.434 |
| 24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.724 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.46055 | 0.878211 | standard |
| 7.47733 | 0.998358 | standard |
| 7.71606 | 1.0003 | standard |
| 7.73279 | 0.880451 | standard |
| -0.98468 | 3.1125e-05 | standard |
| 7.32351 | 0.210296 | standard |
| 7.53978 | 0.999794 | standard |
| 7.65367 | 1.0 | standard |
| 7.86996 | 0.210077 | standard |
| -0.961173 | 1.6125e-05 | standard |
| 7.37998 | 0.351483 | standard |
| 7.5223 | 0.999767 | standard |
| 7.67104 | 1.0 | standard |
| 7.81337 | 0.351606 | standard |
| -0.964347 | 1.0125e-05 | standard |
| 7.40579 | 0.45577 | standard |
| 7.51178 | 1.0 | standard |
| 7.68156 | 0.999259 | standard |
| 7.78759 | 0.455805 | standard |
| -0.938658 | 8.125e-06 | standard |
| 7.41394 | 0.495779 | standard |
| 7.50797 | 0.999626 | standard |
| 7.68548 | 1.00001 | standard |
| 7.77948 | 0.495849 | standard |
| -0.976547 | 7.125e-06 | standard |
| 7.42028 | 0.530958 | standard |
| 7.5047 | 1.00001 | standard |
| 7.68872 | 0.999907 | standard |
| 7.77314 | 0.530614 | standard |
| -0.80307 | 2.125e-06 | standard |
| 7.44654 | 0.732751 | standard |
| 7.48849 | 1.00003 | standard |
| 7.70488 | 0.999119 | standard |
| 7.74684 | 0.733608 | standard |
| -0.543698 | 1.125e-06 | standard |
| 7.45452 | 0.812884 | standard |
| 7.48245 | 1.00011 | standard |
| 7.71093 | 0.999492 | standard |
| 7.7389 | 0.813495 | standard |
| -0.990532 | 1.125e-06 | standard |
| 7.45835 | 0.853292 | standard |
| 7.47926 | 1.00008 | standard |
| 7.71409 | 0.998846 | standard |
| 7.73506 | 0.853673 | standard |
| 7.46055 | 0.878774 | standard |
| 7.47733 | 0.998613 | standard |
| 7.71606 | 1.0003 | standard |
| 7.73279 | 0.881474 | standard |
| 7.46203 | 0.901219 | standard |
| 7.47601 | 1.00071 | standard |
| 7.71734 | 1.00064 | standard |
| 7.73132 | 0.900062 | standard |
| 7.46312 | 0.914196 | standard |
| 7.47513 | 0.996618 | standard |
| 7.71832 | 1.00085 | standard |
| 7.73023 | 0.913543 | standard |
| 7.46351 | 0.921662 | standard |
| 7.47473 | 1.00059 | standard |
| 7.71871 | 1.00079 | standard |
| 7.72984 | 0.921505 | standard |
| 7.4639 | 0.922208 | standard |
| 7.47434 | 1.00091 | standard |
| 7.71901 | 0.995164 | standard |
| 7.72948 | 0.924443 | standard |
| 7.46449 | 0.954857 | standard |
| 7.47385 | 0.997283 | standard |
| 7.7196 | 1.00089 | standard |
| 7.72885 | 0.954588 | standard |
| 7.46479 | 0.956191 | standard |
| 7.47355 | 1.0009 | standard |
| 7.71979 | 0.994865 | standard |
| 7.72866 | 0.950814 | standard |
| 7.46498 | 0.957397 | standard |
| 7.47336 | 1.00075 | standard |
| 7.71999 | 1.00067 | standard |
| 7.72836 | 0.963249 | standard |
| 7.46538 | 0.963138 | standard |
| 7.47296 | 1.00013 | standard |
| 7.72039 | 1.00086 | standard |
| 7.72797 | 0.962229 | standard |
| 7.46597 | 0.994123 | standard |
| 7.47247 | 0.994381 | standard |
| 7.72098 | 1.00084 | standard |
| 7.72738 | 0.993465 | standard |