5-Phenyl-1,3-oxazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02642 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H | |
| Note 1 | 17?18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Phenyl-1,3-oxazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|
| 12 | 7.444 | 7.798 | 7.798 | 0 | 0 | 0 | 0 |
| 13 | 0 | 7.522 | 1.5 | 8.024 | 0 | 0 | 0 |
| 14 | 0 | 0 | 7.522 | 0 | 8.024 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.78 | 1.5 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.78 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 7.508 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 8.212 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.42976 | 0.143641 | standard |
| 7.44269 | 0.314208 | standard |
| 7.45553 | 0.269386 | standard |
| 7.50831 | 1.00004 | standard |
| 7.5227 | 0.619683 | standard |
| 7.53567 | 0.283738 | standard |
| 7.77391 | 0.671782 | standard |
| 7.78698 | 0.608876 | standard |
| 8.21193 | 0.767537 | standard |
| 7.41977 | 0.339061 | standard |
| 7.51187 | 1.0 | standard |
| 7.70401 | 0.467182 | standard |
| 7.82079 | 0.226312 | standard |
| 7.93554 | 0.0941891 | standard |
| 8.21191 | 0.566467 | standard |
| 7.46771 | 0.558818 | standard |
| 7.50931 | 1.0 | standard |
| 7.60391 | 0.29121 | standard |
| 7.72958 | 0.4078 | standard |
| 7.80497 | 0.252436 | standard |
| 7.86701 | 0.14796 | standard |
| 8.21192 | 0.597456 | standard |
| 7.32823 | 0.0289401 | standard |
| 7.47142 | 0.676115 | standard |
| 7.50824 | 1.00001 | standard |
| 7.58874 | 0.220399 | standard |
| 7.64896 | 0.154976 | standard |
| 7.74744 | 0.473176 | standard |
| 7.78875 | 0.242294 | standard |
| 7.79944 | 0.246899 | standard |
| 7.81598 | 0.239452 | standard |
| 7.83959 | 0.212917 | standard |
| 8.21193 | 0.670094 | standard |
| 7.33849 | 0.032894 | standard |
| 7.47332 | 0.726276 | standard |
| 7.50838 | 1.0 | standard |
| 7.57837 | 0.207075 | standard |
| 7.63284 | 0.126119 | standard |
| 7.65852 | 0.0841381 | standard |
| 7.7492 | 0.510217 | standard |
| 7.81435 | 0.266958 | standard |
| 7.83197 | 0.247507 | standard |
| 8.21193 | 0.708971 | standard |
| 7.34866 | 0.0386553 | standard |
| 7.47354 | 0.766276 | standard |
| 7.50844 | 1.00001 | standard |
| 7.57299 | 0.195225 | standard |
| 7.58186 | 0.196858 | standard |
| 7.62092 | 0.127611 | standard |
| 7.6665 | 0.062919 | standard |
| 7.75113 | 0.542748 | standard |
| 7.81221 | 0.295914 | standard |
| 7.82615 | 0.279429 | standard |
| 8.21193 | 0.74012 | standard |
| 7.39763 | 0.0852955 | standard |
| 7.43566 | 0.187587 | standard |
| 7.44271 | 0.1858 | standard |
| 7.47118 | 0.486265 | standard |
| 7.48926 | 0.559568 | standard |
| 7.50821 | 1.0 | standard |
| 7.52441 | 0.627109 | standard |
| 7.55808 | 0.207888 | standard |
| 7.56629 | 0.181261 | standard |
| 7.69889 | 0.0137133 | standard |
| 7.76325 | 0.735544 | standard |
| 7.80042 | 0.535339 | standard |
| 8.21193 | 0.857932 | standard |
| 7.41421 | 0.11844 | standard |
| 7.4398 | 0.255195 | standard |
| 7.46465 | 0.396224 | standard |
| 7.49913 | 0.553198 | standard |
| 7.50804 | 1.00013 | standard |
| 7.52367 | 0.650125 | standard |
| 7.5486 | 0.252112 | standard |
| 7.76808 | 0.773245 | standard |
| 7.79364 | 0.637128 | standard |
| 8.21193 | 0.883665 | standard |
| 7.42213 | 0.127979 | standard |
| 7.4415 | 0.278071 | standard |
| 7.46048 | 0.324515 | standard |
| 7.50788 | 1.00005 | standard |
| 7.52319 | 0.618941 | standard |
| 7.5424 | 0.26344 | standard |
| 7.77091 | 0.709198 | standard |
| 7.79035 | 0.614883 | standard |
| 8.21193 | 0.808914 | standard |
| 7.42676 | 0.120574 | standard |
| 7.44226 | 0.263311 | standard |
| 7.45761 | 0.255063 | standard |
| 7.50796 | 1.00027 | standard |
| 7.5229 | 0.546436 | standard |
| 7.53837 | 0.24165 | standard |
| 7.77269 | 0.604849 | standard |
| 7.78837 | 0.537562 | standard |
| 8.21193 | 0.688491 | standard |
| 7.42976 | 0.143639 | standard |
| 7.44269 | 0.314208 | standard |
| 7.45553 | 0.269386 | standard |
| 7.50831 | 1.00004 | standard |
| 7.5227 | 0.619684 | standard |
| 7.53567 | 0.283738 | standard |
| 7.77391 | 0.671782 | standard |
| 7.78698 | 0.608876 | standard |
| 8.21193 | 0.767534 | standard |
| 7.43186 | 0.174704 | standard |
| 7.44296 | 0.383298 | standard |
| 7.45401 | 0.299951 | standard |
| 7.50816 | 1.00075 | standard |
| 7.51111 | 0.568399 | standard |
| 7.52263 | 0.72562 | standard |
| 7.53377 | 0.338595 | standard |
| 7.77478 | 0.779317 | standard |
| 7.78604 | 0.717043 | standard |
| 8.21193 | 0.890337 | standard |
| 7.4327 | 0.185846 | standard |
| 7.44303 | 0.407548 | standard |
| 7.45337 | 0.30787 | standard |
| 7.50813 | 1.00055 | standard |
| 7.51198 | 0.528227 | standard |
| 7.5226 | 0.766613 | standard |
| 7.533 | 0.357312 | standard |
| 7.77512 | 0.811597 | standard |
| 7.78565 | 0.752468 | standard |
| 8.21193 | 0.929509 | standard |
| 7.4334 | 0.193248 | standard |
| 7.44314 | 0.423383 | standard |
| 7.45282 | 0.310419 | standard |
| 7.50812 | 1.00016 | standard |
| 7.51272 | 0.509191 | standard |
| 7.52255 | 0.785652 | standard |
| 7.53235 | 0.373233 | standard |
| 7.77546 | 0.830721 | standard |
| 7.78532 | 0.771087 | standard |
| 8.21193 | 0.951387 | standard |
| 7.43461 | 0.203207 | standard |
| 7.44325 | 0.444667 | standard |
| 7.45186 | 0.309831 | standard |
| 7.50811 | 1.00002 | standard |
| 7.51377 | 0.487317 | standard |
| 7.52249 | 0.807208 | standard |
| 7.53121 | 0.386242 | standard |
| 7.77596 | 0.848196 | standard |
| 7.78477 | 0.79302 | standard |
| 8.21193 | 0.972345 | standard |
| 7.4351 | 0.206632 | standard |
| 7.4433 | 0.45236 | standard |
| 7.45146 | 0.308205 | standard |
| 7.5081 | 1.00001 | standard |
| 7.51419 | 0.47772 | standard |
| 7.52246 | 0.812734 | standard |
| 7.53071 | 0.389026 | standard |
| 7.77619 | 0.850524 | standard |
| 7.78453 | 0.796664 | standard |
| 8.21193 | 0.977559 | standard |
| 7.43558 | 0.20932 | standard |
| 7.44334 | 0.457145 | standard |
| 7.45109 | 0.305996 | standard |
| 7.5081 | 1.00001 | standard |
| 7.51462 | 0.478399 | standard |
| 7.52246 | 0.811396 | standard |
| 7.53029 | 0.393649 | standard |
| 7.77639 | 0.85307 | standard |
| 7.78429 | 0.803879 | standard |
| 8.21193 | 0.981587 | standard |
| 7.43748 | 0.221594 | standard |
| 7.4435 | 0.475551 | standard |
| 7.44948 | 0.29701 | standard |
| 7.5081 | 1.0 | standard |
| 7.51637 | 0.470027 | standard |
| 7.5224 | 0.833947 | standard |
| 7.52844 | 0.39958 | standard |
| 7.77731 | 0.848913 | standard |
| 7.78341 | 0.833108 | standard |
| 8.21193 | 0.991735 | standard |