(3,5-Dichlorophenyl)methanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.19570 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2 | |
| Note 1 | 14,15 missing (saturated?) 4.6? |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (3,5-Dichlorophenyl)methanol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|
| 11 | 7.436 | 2.512 | 0.351 | 0 | 0 |
| 12 | 0 | 7.349 | 1.5 | 0 | 0 |
| 13 | 0 | 0 | 7.349 | 0 | 0 |
| 14 | 0 | 0 | 0 | 4.292 | 11.11 |
| 15 | 0 | 0 | 0 | 0 | 4.294 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.29283 | 1.00087 | standard |
| 7.34818 | 0.64017 | standard |
| 7.3496 | 0.654765 | standard |
| 7.43432 | 0.244819 | standard |
| 7.43635 | 0.267619 | standard |
| 4.29278 | 1.0 | standard |
| 7.36248 | 0.875077 | standard |
| 4.29278 | 1.0 | standard |
| 7.3576 | 0.771421 | standard |
| 7.41575 | 0.386809 | standard |
| 4.29278 | 1.0 | standard |
| 7.35533 | 0.731911 | standard |
| 7.42114 | 0.328988 | standard |
| 4.29278 | 1.0 | standard |
| 7.35467 | 0.720003 | standard |
| 7.42287 | 0.313883 | standard |
| 7.4354 | 0.277804 | standard |
| 4.29283 | 1.00002 | standard |
| 7.35402 | 0.711433 | standard |
| 7.4242 | 0.303127 | standard |
| 7.43608 | 0.275199 | standard |
| 4.29283 | 1.0001 | standard |
| 7.35135 | 0.672764 | standard |
| 7.43024 | 0.262249 | standard |
| 7.43641 | 0.268124 | standard |
| 4.29283 | 1.00022 | standard |
| 7.3505 | 0.660777 | standard |
| 7.4322 | 0.250582 | standard |
| 7.43639 | 0.265692 | standard |
| 4.29283 | 1.00039 | standard |
| 7.34786 | 0.629701 | standard |
| 7.35009 | 0.656798 | standard |
| 7.43321 | 0.246947 | standard |
| 7.43636 | 0.265505 | standard |
| 4.29283 | 1.00061 | standard |
| 7.34804 | 0.635785 | standard |
| 7.3498 | 0.655015 | standard |
| 7.43385 | 0.245661 | standard |
| 7.43634 | 0.266675 | standard |
| 4.29283 | 1.00087 | standard |
| 7.34818 | 0.640176 | standard |
| 7.3496 | 0.65477 | standard |
| 7.43432 | 0.244821 | standard |
| 7.43635 | 0.267621 | standard |
| 4.29283 | 1.00119 | standard |
| 7.34818 | 0.636674 | standard |
| 7.34952 | 0.649031 | standard |
| 7.43455 | 0.242569 | standard |
| 7.43639 | 0.268389 | standard |
| 4.29283 | 1.00136 | standard |
| 7.34833 | 0.646126 | standard |
| 7.3494 | 0.656226 | standard |
| 7.43478 | 0.244432 | standard |
| 7.43636 | 0.269202 | standard |
| 4.29283 | 1.00154 | standard |
| 7.34828 | 0.645542 | standard |
| 7.3494 | 0.656085 | standard |
| 7.43486 | 0.241815 | standard |
| 7.43637 | 0.268192 | standard |
| 7.43779 | 0.234036 | standard |
| 4.29283 | 1.00194 | standard |
| 7.34835 | 0.646561 | standard |
| 7.34931 | 0.653847 | standard |
| 7.43503 | 0.242887 | standard |
| 7.43638 | 0.269181 | standard |
| 7.43766 | 0.236413 | standard |
| 4.29283 | 1.00215 | standard |
| 7.34833 | 0.646526 | standard |
| 7.34934 | 0.647068 | standard |
| 7.43497 | 0.238193 | standard |
| 7.4364 | 0.267104 | standard |
| 7.43757 | 0.237423 | standard |
| 4.29283 | 1.00238 | standard |
| 7.34843 | 0.645253 | standard |
| 7.34931 | 0.65747 | standard |
| 7.43508 | 0.239353 | standard |
| 7.4364 | 0.269186 | standard |
| 4.28423 | 0.0151466 | standard |
| 4.29283 | 1.00335 | standard |
| 4.30142 | 0.0151466 | standard |
| 7.34851 | 0.679243 | standard |
| 7.34912 | 0.680943 | standard |
| 7.43534 | 0.246833 | standard |
| 7.43634 | 0.275384 | standard |
| 7.43733 | 0.244351 | standard |