3,4-Dichlorobenzenesulfonamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01671 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3,4-Dichlorobenzenesulfonamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 13 | 14 | 15 | |
|---|---|---|---|
| 13 | 7.802 | 8.711 | 1.927 |
| 14 | 0 | 7.767 | 0 |
| 15 | 0 | 0 | 8.086 |
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 |
|---|---|---|
| 7.75791 | 0.457617 | standard |
| 7.77248 | 1.00083 | standard |
| 7.79463 | 0.627988 | standard |
| 7.79734 | 0.621138 | standard |
| 7.80909 | 0.286143 | standard |
| 7.81193 | 0.288484 | standard |
| 8.0851 | 0.881768 | standard |
| 8.08786 | 0.879745 | standard |
| 7.78566 | 1.0 | standard |
| 8.08742 | 0.469785 | standard |
| 7.78243 | 1.0 | standard |
| 7.93941 | 0.0444441 | standard |
| 8.08645 | 0.464139 | standard |
| 7.67726 | 0.0316601 | standard |
| 7.78184 | 1.0 | standard |
| 7.90271 | 0.0348134 | standard |
| 7.97363 | 0.0179961 | standard |
| 8.08609 | 0.458984 | standard |
| 7.68768 | 0.0349213 | standard |
| 7.78175 | 1.0 | standard |
| 7.89041 | 0.0356974 | standard |
| 7.98573 | 0.0154161 | standard |
| 8.0858 | 0.458501 | standard |
| 7.69621 | 0.0386214 | standard |
| 7.78171 | 1.00001 | standard |
| 7.88022 | 0.0389832 | standard |
| 8.08554 | 0.457597 | standard |
| 7.7347 | 0.123227 | standard |
| 7.77839 | 1.0 | standard |
| 7.7856 | 0.801457 | standard |
| 7.79291 | 0.662976 | standard |
| 7.83732 | 0.098568 | standard |
| 8.0837 | 0.640332 | standard |
| 8.08915 | 0.623802 | standard |
| 7.74695 | 0.229771 | standard |
| 7.77593 | 1.00004 | standard |
| 7.79004 | 0.674843 | standard |
| 7.79483 | 0.65042 | standard |
| 7.81929 | 0.14904 | standard |
| 7.82402 | 0.163308 | standard |
| 8.08415 | 0.751832 | standard |
| 8.08886 | 0.736967 | standard |
| 7.75267 | 0.32059 | standard |
| 7.77442 | 1.0 | standard |
| 7.79205 | 0.64591 | standard |
| 7.79591 | 0.628794 | standard |
| 7.81389 | 0.204848 | standard |
| 7.81777 | 0.211447 | standard |
| 8.08459 | 0.802955 | standard |
| 8.08842 | 0.80295 | standard |
| 7.75588 | 0.394979 | standard |
| 7.77332 | 1.0 | standard |
| 7.79359 | 0.637691 | standard |
| 7.79668 | 0.627403 | standard |
| 7.81093 | 0.250099 | standard |
| 7.81416 | 0.254383 | standard |
| 8.0849 | 0.846496 | standard |
| 8.08811 | 0.846494 | standard |
| 7.75791 | 0.457612 | standard |
| 7.77248 | 1.00083 | standard |
| 7.79463 | 0.627991 | standard |
| 7.79734 | 0.621142 | standard |
| 7.80909 | 0.286141 | standard |
| 7.81193 | 0.288482 | standard |
| 8.0851 | 0.881769 | standard |
| 8.08786 | 0.879746 | standard |
| 7.75934 | 0.51025 | standard |
| 7.77179 | 1.00112 | standard |
| 7.79549 | 0.623687 | standard |
| 7.79787 | 0.619193 | standard |
| 7.80788 | 0.320289 | standard |
| 7.81027 | 0.321127 | standard |
| 8.08527 | 0.914808 | standard |
| 8.08764 | 0.914807 | standard |
| 7.75989 | 0.53239 | standard |
| 7.77149 | 1.00128 | standard |
| 7.79588 | 0.624909 | standard |
| 7.79808 | 0.621296 | standard |
| 7.80748 | 0.335232 | standard |
| 7.80968 | 0.335602 | standard |
| 8.08536 | 0.925664 | standard |
| 8.08761 | 0.926812 | standard |
| 7.76039 | 0.551608 | standard |
| 7.77124 | 1.0 | standard |
| 7.79617 | 0.618275 | standard |
| 7.79829 | 0.615446 | standard |
| 7.80708 | 0.349385 | standard |
| 7.80908 | 0.349285 | standard |
| 8.08545 | 0.941045 | standard |
| 8.08751 | 0.942377 | standard |
| 7.76113 | 0.589007 | standard |
| 7.77084 | 1.0 | standard |
| 7.79675 | 0.620719 | standard |
| 7.7986 | 0.619163 | standard |
| 7.80637 | 0.36965 | standard |
| 7.80821 | 0.368537 | standard |
| 8.08558 | 0.963601 | standard |
| 8.08743 | 0.9636 | standard |
| 7.76148 | 0.603998 | standard |
| 7.77065 | 1.0 | standard |
| 7.79694 | 0.619358 | standard |
| 7.7987 | 0.618273 | standard |
| 7.80605 | 0.373757 | standard |
| 7.80794 | 0.372093 | standard |
| 8.08557 | 0.964789 | standard |
| 8.08739 | 0.962811 | standard |
| 7.76172 | 0.62038 | standard |
| 7.77045 | 1.0 | standard |
| 7.79714 | 0.619115 | standard |
| 7.79881 | 0.618437 | standard |
| 7.80586 | 0.38828 | standard |
| 7.80753 | 0.386608 | standard |
| 8.08567 | 0.981365 | standard |
| 8.08734 | 0.981364 | standard |
| 7.76301 | 0.680714 | standard |
| 7.76965 | 0.984059 | standard |
| 7.7981 | 0.603361 | standard |
| 7.79943 | 0.604556 | standard |
| 7.80484 | 0.422189 | standard |
| 7.80617 | 0.419173 | standard |
| 8.08584 | 1.00046 | standard |
| 8.08717 | 1.00046 | standard |