3-Methyl-2-furoic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01689 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) | |
| Note 1 | 13,?14 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Methyl-2-furoic acid | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | |
|---|---|---|---|---|---|
| 10 | 2.273 | -14.0 | -14.0 | 0 | 0 |
| 11 | 0 | 2.273 | -14.0 | 0 | 0 |
| 12 | 0 | 0 | 2.273 | 0 | 0 |
| 13 | 0 | 0 | 0 | 6.422 | 1.933 |
| 14 | 0 | 0 | 0 | 0 | 7.443 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.27305 | 1.0 | standard |
| 6.42099 | 0.204135 | standard |
| 6.42382 | 0.204166 | standard |
| 7.4417 | 0.202239 | standard |
| 7.44466 | 0.202261 | standard |
| 2.27305 | 1.0 | standard |
| 6.40036 | 0.1966 | standard |
| 6.44382 | 0.208699 | standard |
| 7.42171 | 0.208705 | standard |
| 7.4652 | 0.196663 | standard |
| 2.27305 | 1.0 | standard |
| 6.40776 | 0.200521 | standard |
| 6.43672 | 0.205905 | standard |
| 7.4288 | 0.205706 | standard |
| 7.45777 | 0.199435 | standard |
| 2.27305 | 1.0 | standard |
| 6.41146 | 0.202865 | standard |
| 6.43309 | 0.20441 | standard |
| 7.43243 | 0.204147 | standard |
| 7.45419 | 0.202655 | standard |
| 2.27305 | 1.0 | standard |
| 6.41259 | 0.202485 | standard |
| 6.43195 | 0.203818 | standard |
| 7.43359 | 0.203822 | standard |
| 7.45295 | 0.202484 | standard |
| 2.27305 | 1.0 | standard |
| 6.41356 | 0.203058 | standard |
| 6.43094 | 0.2025 | standard |
| 7.43459 | 0.2031 | standard |
| 7.45197 | 0.202646 | standard |
| 2.27305 | 1.0 | standard |
| 6.41804 | 0.203244 | standard |
| 6.42667 | 0.202926 | standard |
| 7.43887 | 0.203507 | standard |
| 7.4475 | 0.203422 | standard |
| 2.27305 | 1.0 | standard |
| 6.41946 | 0.203212 | standard |
| 6.42525 | 0.203212 | standard |
| 7.44029 | 0.20321 | standard |
| 7.44608 | 0.203212 | standard |
| 2.27305 | 1.0 | standard |
| 6.42017 | 0.202508 | standard |
| 6.42454 | 0.201381 | standard |
| 7.44099 | 0.202871 | standard |
| 7.44537 | 0.202787 | standard |
| 2.27305 | 1.0 | standard |
| 6.42062 | 0.203064 | standard |
| 6.42409 | 0.203176 | standard |
| 7.44145 | 0.20321 | standard |
| 7.44492 | 0.20321 | standard |
| 2.27305 | 1.0 | standard |
| 6.42099 | 0.204014 | standard |
| 6.42382 | 0.203417 | standard |
| 7.4417 | 0.202116 | standard |
| 7.44466 | 0.201506 | standard |
| 2.27305 | 1.0 | standard |
| 6.42116 | 0.202594 | standard |
| 6.42366 | 0.202137 | standard |
| 7.44188 | 0.202646 | standard |
| 7.44438 | 0.202216 | standard |
| 2.27305 | 1.0 | standard |
| 6.42125 | 0.203343 | standard |
| 6.42356 | 0.203089 | standard |
| 7.44198 | 0.203341 | standard |
| 7.44429 | 0.203083 | standard |
| 2.27305 | 1.0 | standard |
| 6.42135 | 0.204188 | standard |
| 6.42347 | 0.204187 | standard |
| 7.44207 | 0.204189 | standard |
| 7.44419 | 0.204188 | standard |
| 2.27305 | 1.0 | standard |
| 6.42142 | 0.202264 | standard |
| 6.42339 | 0.202219 | standard |
| 7.44215 | 0.202211 | standard |
| 7.44412 | 0.202261 | standard |
| 2.27305 | 1.0 | standard |
| 6.42153 | 0.204757 | standard |
| 6.42329 | 0.204449 | standard |
| 7.44224 | 0.20173 | standard |
| 7.44412 | 0.201418 | standard |
| 2.27305 | 1.0 | standard |
| 6.42151 | 0.200585 | standard |
| 6.42331 | 0.201241 | standard |
| 7.44235 | 0.204531 | standard |
| 7.44402 | 0.20364 | standard |
| 2.27305 | 1.0 | standard |
| 6.42169 | 0.202929 | standard |
| 6.42302 | 0.202195 | standard |
| 7.44252 | 0.202937 | standard |
| 7.44385 | 0.202201 | standard |