N-(4-chlorophenyl)methanesulfonamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01727 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 | |
| Note 1 | 16,17?18,19 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| N-(4-chlorophenyl)methanesulfonamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 13 | 14 | 15 | 16 | 17 | 18 | 19 | |
|---|---|---|---|---|---|---|---|
| 13 | 3.085 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 3.085 | -14.0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 3.085 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.432 | 1.5 | 8.622 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.432 | 0 | 8.622 |
| 18 | 0 | 0 | 0 | 0 | 0 | 7.25 | 1.5 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 7.25 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.08538 | 1.0 | standard |
| 7.2426 | 0.260939 | standard |
| 7.2568 | 0.30491 | standard |
| 7.42514 | 0.305248 | standard |
| 7.4394 | 0.261362 | standard |
| 3.08538 | 1.0 | standard |
| 7.08948 | 0.0752721 | standard |
| 7.31331 | 0.622837 | standard |
| 7.36872 | 0.622862 | standard |
| 7.59251 | 0.075286 | standard |
| 3.08538 | 1.0 | standard |
| 7.15202 | 0.113589 | standard |
| 7.2986 | 0.48694 | standard |
| 7.38344 | 0.486939 | standard |
| 7.53002 | 0.113586 | standard |
| 3.08538 | 1.0 | standard |
| 7.18092 | 0.1435 | standard |
| 7.28979 | 0.435607 | standard |
| 7.39225 | 0.435607 | standard |
| 7.50112 | 0.143499 | standard |
| 3.08538 | 1.0 | standard |
| 7.19003 | 0.155657 | standard |
| 7.28646 | 0.419354 | standard |
| 7.39551 | 0.419518 | standard |
| 7.49201 | 0.155648 | standard |
| 3.08538 | 1.0 | standard |
| 7.19702 | 0.165868 | standard |
| 7.28371 | 0.406308 | standard |
| 7.39833 | 0.406312 | standard |
| 7.48494 | 0.165885 | standard |
| 3.08538 | 1.0 | standard |
| 7.22603 | 0.220252 | standard |
| 7.269 | 0.345082 | standard |
| 7.41304 | 0.345082 | standard |
| 7.45601 | 0.220252 | standard |
| 3.08538 | 1.0 | standard |
| 7.23463 | 0.240645 | standard |
| 7.26314 | 0.325303 | standard |
| 7.4189 | 0.325303 | standard |
| 7.44741 | 0.240645 | standard |
| 3.08538 | 1.0 | standard |
| 7.23867 | 0.251185 | standard |
| 7.26005 | 0.315786 | standard |
| 7.42199 | 0.315795 | standard |
| 7.44334 | 0.251477 | standard |
| 3.08538 | 1.0 | standard |
| 7.24106 | 0.257609 | standard |
| 7.25819 | 0.308406 | standard |
| 7.42386 | 0.309542 | standard |
| 7.44098 | 0.257613 | standard |
| 3.08538 | 1.0 | standard |
| 7.2426 | 0.260939 | standard |
| 7.2568 | 0.304864 | standard |
| 7.42514 | 0.305249 | standard |
| 7.4394 | 0.261323 | standard |
| 3.08538 | 1.0 | standard |
| 7.24372 | 0.26536 | standard |
| 7.25592 | 0.301075 | standard |
| 7.42612 | 0.301079 | standard |
| 7.43832 | 0.26571 | standard |
| 3.08538 | 1.0 | standard |
| 7.24411 | 0.266709 | standard |
| 7.25553 | 0.299715 | standard |
| 7.42651 | 0.299249 | standard |
| 7.43793 | 0.266705 | standard |
| 3.08538 | 1.0 | standard |
| 7.24451 | 0.267432 | standard |
| 7.25523 | 0.29834 | standard |
| 7.42681 | 0.298339 | standard |
| 7.43754 | 0.267432 | standard |
| 3.08538 | 1.0 | standard |
| 7.2451 | 0.269818 | standard |
| 7.25464 | 0.297389 | standard |
| 7.4274 | 0.296833 | standard |
| 7.43695 | 0.269813 | standard |
| 3.08538 | 1.0 | standard |
| 7.2454 | 0.270655 | standard |
| 7.25434 | 0.29674 | standard |
| 7.42759 | 0.295125 | standard |
| 7.43665 | 0.270579 | standard |
| 3.08538 | 1.0 | standard |
| 7.24559 | 0.272952 | standard |
| 7.25415 | 0.294537 | standard |
| 7.4279 | 0.294537 | standard |
| 7.43645 | 0.272952 | standard |
| 3.08538 | 1.0 | standard |
| 7.24668 | 0.279001 | standard |
| 7.25327 | 0.288858 | standard |
| 7.42878 | 0.288892 | standard |
| 7.43537 | 0.276122 | standard |