Imidazo[1,2-a]pyridin-6-ylmethanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.12436 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H8N2O/c11-6-7-1-2-8-9-3-4-10(8)5-7/h1-5,11H,6H2 | |
| Note 1 | missing peaks 17,18 (saturated?) |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Imidazo[1,2-a]pyridin-6-ylmethanol | 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 | 7.48 | 9.393 | 0 | 0 | 1.576 | 0 | 0 |
| 13 | 0 | 7.639 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 7.87 | 0.075 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 8.455 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.64 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 4.0 | -14.0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 4.0 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.99998 | 1.0 | standard |
| 7.47238 | 0.195312 | standard |
| 7.48791 | 0.234252 | standard |
| 7.6321 | 0.339739 | standard |
| 7.64002 | 0.469956 | standard |
| 7.64721 | 0.302108 | standard |
| 7.87048 | 0.500043 | standard |
| 8.45533 | 0.499418 | standard |
| 3.99998 | 1.0 | standard |
| 7.31122 | 0.073888 | standard |
| 7.58558 | 0.884331 | standard |
| 7.86931 | 0.553018 | standard |
| 8.45535 | 0.505708 | standard |
| 3.99998 | 1.0 | standard |
| 7.37425 | 0.0923711 | standard |
| 7.53476 | 0.488192 | standard |
| 7.59786 | 0.657084 | standard |
| 7.6244 | 0.625807 | standard |
| 7.74759 | 0.151471 | standard |
| 7.8704 | 0.519375 | standard |
| 8.45533 | 0.502429 | standard |
| 3.99998 | 1.0 | standard |
| 7.4051 | 0.109286 | standard |
| 7.52323 | 0.392956 | standard |
| 7.60331 | 0.559849 | standard |
| 7.63261 | 0.55784 | standard |
| 7.71499 | 0.163898 | standard |
| 7.87049 | 0.5104 | standard |
| 8.45533 | 0.501216 | standard |
| 3.99998 | 1.0 | standard |
| 7.41501 | 0.116594 | standard |
| 7.51961 | 0.367689 | standard |
| 7.60558 | 0.530321 | standard |
| 7.63415 | 0.540093 | standard |
| 7.70509 | 0.173177 | standard |
| 7.8705 | 0.508156 | standard |
| 8.45533 | 0.500956 | standard |
| 3.99998 | 1.0 | standard |
| 7.4227 | 0.123044 | standard |
| 7.51661 | 0.349384 | standard |
| 7.60765 | 0.507916 | standard |
| 7.63503 | 0.526538 | standard |
| 7.69731 | 0.182361 | standard |
| 7.87051 | 0.50648 | standard |
| 8.45533 | 0.500679 | standard |
| 3.99998 | 1.0 | standard |
| 7.45446 | 0.160827 | standard |
| 7.50105 | 0.276546 | standard |
| 7.62017 | 0.409108 | standard |
| 7.63853 | 0.481858 | standard |
| 7.66544 | 0.241354 | standard |
| 7.87053 | 0.501392 | standard |
| 8.45533 | 0.499962 | standard |
| 3.99998 | 1.0 | standard |
| 7.46373 | 0.177414 | standard |
| 7.49481 | 0.254656 | standard |
| 7.62576 | 0.376081 | standard |
| 7.63933 | 0.47271 | standard |
| 7.65594 | 0.26842 | standard |
| 7.87053 | 0.500585 | standard |
| 8.45533 | 0.499951 | standard |
| 3.99998 | 1.0 | standard |
| 7.4681 | 0.186154 | standard |
| 7.4914 | 0.244281 | standard |
| 7.62888 | 0.356877 | standard |
| 7.63975 | 0.46565 | standard |
| 7.6515 | 0.283432 | standard |
| 7.87053 | 0.500188 | standard |
| 8.45533 | 0.499833 | standard |
| 3.99998 | 1.0 | standard |
| 7.47066 | 0.191997 | standard |
| 7.48931 | 0.237318 | standard |
| 7.63077 | 0.347702 | standard |
| 7.63993 | 0.467258 | standard |
| 7.64895 | 0.293877 | standard |
| 7.87053 | 0.499876 | standard |
| 8.45533 | 0.499648 | standard |
| 3.99998 | 1.0 | standard |
| 7.47238 | 0.195313 | standard |
| 7.48791 | 0.234254 | standard |
| 7.6321 | 0.339741 | standard |
| 7.64002 | 0.46996 | standard |
| 7.64721 | 0.30211 | standard |
| 7.87048 | 0.500043 | standard |
| 8.45533 | 0.499418 | standard |
| 3.99998 | 1.0 | standard |
| 7.47362 | 0.195956 | standard |
| 7.48686 | 0.229006 | standard |
| 7.63316 | 0.335718 | standard |
| 7.64002 | 0.46899 | standard |
| 7.64606 | 0.307473 | standard |
| 7.87048 | 0.499924 | standard |
| 8.45538 | 0.499807 | standard |
| 3.99998 | 1.0 | standard |
| 7.4741 | 0.198502 | standard |
| 7.48647 | 0.229617 | standard |
| 7.63354 | 0.33356 | standard |
| 7.64 | 0.469065 | standard |
| 7.64558 | 0.309876 | standard |
| 7.87048 | 0.499875 | standard |
| 8.45538 | 0.499772 | standard |
| 3.99998 | 1.0 | standard |
| 7.47448 | 0.20173 | standard |
| 7.48613 | 0.227327 | standard |
| 7.63387 | 0.330278 | standard |
| 7.64007 | 0.466625 | standard |
| 7.64519 | 0.313176 | standard |
| 7.87048 | 0.499826 | standard |
| 8.45538 | 0.499736 | standard |
| 3.99998 | 1.0 | standard |
| 7.47517 | 0.202881 | standard |
| 7.48553 | 0.224673 | standard |
| 7.6345 | 0.327518 | standard |
| 7.64009 | 0.465369 | standard |
| 7.64451 | 0.31804 | standard |
| 7.87048 | 0.49973 | standard |
| 8.45533 | 0.500012 | standard |
| 3.99998 | 1.0 | standard |
| 7.47548 | 0.199877 | standard |
| 7.48529 | 0.224238 | standard |
| 7.63469 | 0.325616 | standard |
| 7.64004 | 0.465404 | standard |
| 7.64423 | 0.318622 | standard |
| 7.87048 | 0.499681 | standard |
| 8.45533 | 0.500011 | standard |
| 3.99998 | 1.0 | standard |
| 7.47572 | 0.201123 | standard |
| 7.48504 | 0.224351 | standard |
| 7.63498 | 0.324511 | standard |
| 7.64011 | 0.468301 | standard |
| 7.64392 | 0.323926 | standard |
| 7.87048 | 0.499631 | standard |
| 8.45533 | 0.50001 | standard |
| 3.99998 | 1.0 | standard |
| 7.4769 | 0.205663 | standard |
| 7.484 | 0.21736 | standard |
| 7.63593 | 0.316141 | standard |
| 7.64011 | 0.472691 | standard |
| 7.64287 | 0.333553 | standard |
| 7.87053 | 0.500039 | standard |
| 8.45533 | 0.500006 | standard |