2-(Methoxymethyl)-1-methyl-1H-benzimidazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02548 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H12N2O/c1-12-9-6-4-3-5-8(9)11-10(12)7-13-2/h3-6H,7H2,1-2H3 | |
| Note 1 | 24,25 missing (saturated?) | |
| Note 2 | 14,15,16?17,18,19 | |
| Note 3 | 22?23 | |
| Note 4 | 21?20 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-(Methoxymethyl)-1-methyl-1H-benzimidazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 14 | 3.872 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 3.872 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 3.872 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 3.437 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 3.437 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 3.437 | 0 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 7.434 | 7.239 | 8.408 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.378 | 0 | 8.408 | 0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.72 | 0 | 0 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.614 | 0 | 0 |
| 24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.552 | 12.87 |
| 25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.548 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.4369 | 0.998763 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.646506 | standard |
| 7.36404 | 0.0663403 | standard |
| 7.37648 | 0.13043 | standard |
| 7.38991 | 0.110881 | standard |
| 7.42192 | 0.102191 | standard |
| 7.43547 | 0.135467 | standard |
| 7.44773 | 0.0748052 | standard |
| 7.60781 | 0.177701 | standard |
| 7.62166 | 0.159051 | standard |
| 7.713 | 0.175695 | standard |
| 7.72683 | 0.159867 | standard |
| 3.4369 | 0.999166 | standard |
| 3.87153 | 1.0 | standard |
| 4.55022 | 0.665409 | standard |
| 7.27571 | 0.070543 | standard |
| 7.3317 | 0.0792941 | standard |
| 7.47998 | 0.343665 | standard |
| 7.54407 | 0.347344 | standard |
| 7.64213 | 0.248986 | standard |
| 7.78419 | 0.0747561 | standard |
| 7.8672 | 0.0466821 | standard |
| 3.4369 | 0.999776 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.666774 | standard |
| 7.22487 | 0.0175193 | standard |
| 7.32597 | 0.104988 | standard |
| 7.37628 | 0.108134 | standard |
| 7.40256 | 0.137379 | standard |
| 7.45315 | 0.264516 | standard |
| 7.56026 | 0.226549 | standard |
| 7.63739 | 0.127032 | standard |
| 7.66432 | 0.172499 | standard |
| 7.73211 | 0.0849221 | standard |
| 7.78458 | 0.0564461 | standard |
| 7.80774 | 0.063372 | standard |
| 3.4369 | 0.999979 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.666877 | standard |
| 7.26237 | 0.0199782 | standard |
| 7.34924 | 0.119877 | standard |
| 7.40002 | 0.149589 | standard |
| 7.44231 | 0.225206 | standard |
| 7.52705 | 0.0947 | standard |
| 7.57299 | 0.162323 | standard |
| 7.62777 | 0.106134 | standard |
| 7.67754 | 0.199742 | standard |
| 7.72868 | 0.083668 | standard |
| 7.78129 | 0.0744772 | standard |
| 3.4369 | 0.99928 | standard |
| 3.87153 | 1.0 | standard |
| 4.55022 | 0.667089 | standard |
| 7.27521 | 0.021586 | standard |
| 7.35702 | 0.117485 | standard |
| 7.39909 | 0.162971 | standard |
| 7.43918 | 0.200367 | standard |
| 7.52094 | 0.0731404 | standard |
| 7.57693 | 0.154604 | standard |
| 7.63084 | 0.0838515 | standard |
| 7.67868 | 0.183319 | standard |
| 7.72234 | 0.072699 | standard |
| 7.77316 | 0.0791614 | standard |
| 3.4369 | 1.0 | standard |
| 3.87153 | 0.999524 | standard |
| 4.55022 | 0.66641 | standard |
| 7.28561 | 0.023147 | standard |
| 7.3641 | 0.109945 | standard |
| 7.39983 | 0.174744 | standard |
| 7.43401 | 0.172547 | standard |
| 7.44388 | 0.173568 | standard |
| 7.51207 | 0.062761 | standard |
| 7.53837 | 0.042584 | standard |
| 7.58026 | 0.151763 | standard |
| 7.61351 | 0.0691201 | standard |
| 7.63097 | 0.0683831 | standard |
| 7.66679 | 0.111971 | standard |
| 7.68385 | 0.158025 | standard |
| 7.71721 | 0.0667241 | standard |
| 7.73244 | 0.058292 | standard |
| 7.7668 | 0.0842963 | standard |
| 3.4369 | 0.999843 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.666883 | standard |
| 7.33318 | 0.0401868 | standard |
| 7.36884 | 0.118784 | standard |
| 7.40481 | 0.213884 | standard |
| 7.44002 | 0.144026 | standard |
| 7.47544 | 0.0594238 | standard |
| 7.53047 | 0.00441613 | standard |
| 7.56387 | 0.0120692 | standard |
| 7.59636 | 0.159459 | standard |
| 7.63638 | 0.117709 | standard |
| 7.66863 | 0.0172335 | standard |
| 7.70119 | 0.156343 | standard |
| 7.74126 | 0.119465 | standard |
| 7.77327 | 0.00714713 | standard |
| 3.4369 | 1.0 | standard |
| 3.87153 | 0.999417 | standard |
| 4.55026 | 0.664873 | standard |
| 7.34897 | 0.051373 | standard |
| 7.37339 | 0.131394 | standard |
| 7.3996 | 0.139427 | standard |
| 7.41109 | 0.122859 | standard |
| 7.43747 | 0.143106 | standard |
| 7.46165 | 0.0656627 | standard |
| 7.56632 | 0.00393 | standard |
| 7.60195 | 0.177634 | standard |
| 7.62877 | 0.14272 | standard |
| 7.67115 | 0.00477204 | standard |
| 7.70699 | 0.174416 | standard |
| 7.73382 | 0.144731 | standard |
| 3.4369 | 1.0 | standard |
| 3.87153 | 0.999303 | standard |
| 4.55022 | 0.661459 | standard |
| 7.35667 | 0.0582571 | standard |
| 7.37518 | 0.131812 | standard |
| 7.39511 | 0.124712 | standard |
| 7.41619 | 0.111592 | standard |
| 7.43639 | 0.140308 | standard |
| 7.45471 | 0.0704408 | standard |
| 7.60481 | 0.181385 | standard |
| 7.62524 | 0.152786 | standard |
| 7.70989 | 0.177499 | standard |
| 7.73038 | 0.153772 | standard |
| 3.4369 | 1.0 | standard |
| 3.87153 | 0.999574 | standard |
| 4.55022 | 0.65834 | standard |
| 7.36112 | 0.0629771 | standard |
| 7.37598 | 0.130586 | standard |
| 7.39204 | 0.116664 | standard |
| 7.41954 | 0.105774 | standard |
| 7.43579 | 0.138294 | standard |
| 7.4505 | 0.0727508 | standard |
| 7.60655 | 0.179784 | standard |
| 7.6231 | 0.157092 | standard |
| 7.71171 | 0.176228 | standard |
| 7.72824 | 0.157612 | standard |
| 3.4369 | 0.999917 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.646577 | standard |
| 7.36404 | 0.0663715 | standard |
| 7.37648 | 0.130491 | standard |
| 7.38991 | 0.110933 | standard |
| 7.42192 | 0.102239 | standard |
| 7.43547 | 0.13553 | standard |
| 7.44773 | 0.0748391 | standard |
| 7.60781 | 0.177783 | standard |
| 7.62166 | 0.159124 | standard |
| 7.713 | 0.175776 | standard |
| 7.72683 | 0.15994 | standard |
| 3.4369 | 0.999192 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.639035 | standard |
| 7.36612 | 0.068769 | standard |
| 7.37678 | 0.12938 | standard |
| 7.38833 | 0.107477 | standard |
| 7.42355 | 0.0995765 | standard |
| 7.43518 | 0.13535 | standard |
| 7.44575 | 0.076082 | standard |
| 7.60873 | 0.176901 | standard |
| 7.62062 | 0.160466 | standard |
| 7.71389 | 0.174384 | standard |
| 7.72584 | 0.160786 | standard |
| 3.4369 | 1.0 | standard |
| 3.87153 | 0.999643 | standard |
| 4.55022 | 0.635896 | standard |
| 7.36692 | 0.0697915 | standard |
| 7.37686 | 0.129297 | standard |
| 7.38763 | 0.105888 | standard |
| 7.42424 | 0.0985232 | standard |
| 7.43509 | 0.133597 | standard |
| 7.44501 | 0.076709 | standard |
| 7.60912 | 0.176281 | standard |
| 7.62023 | 0.160924 | standard |
| 7.71426 | 0.174319 | standard |
| 7.72539 | 0.161643 | standard |
| 3.4369 | 0.999226 | standard |
| 3.87153 | 1.0 | standard |
| 4.55021 | 0.631153 | standard |
| 7.36761 | 0.070628 | standard |
| 7.37696 | 0.129448 | standard |
| 7.38709 | 0.10455 | standard |
| 7.42484 | 0.0975082 | standard |
| 7.43506 | 0.132101 | standard |
| 7.44432 | 0.077167 | standard |
| 7.60942 | 0.175567 | standard |
| 7.61986 | 0.161233 | standard |
| 7.71463 | 0.173845 | standard |
| 7.72507 | 0.161838 | standard |
| 3.4369 | 0.999557 | standard |
| 3.87153 | 1.0 | standard |
| 4.53568 | 0.007168 | standard |
| 4.55021 | 0.595158 | standard |
| 4.56475 | 0.00737615 | standard |
| 7.3688 | 0.0722661 | standard |
| 7.37713 | 0.12956 | standard |
| 7.3861 | 0.102513 | standard |
| 7.42588 | 0.0963543 | standard |
| 7.43498 | 0.13139 | standard |
| 7.44323 | 0.078161 | standard |
| 7.60997 | 0.175271 | standard |
| 7.61926 | 0.16217 | standard |
| 7.71515 | 0.17337 | standard |
| 7.72447 | 0.162726 | standard |
| 3.4369 | 0.99976 | standard |
| 3.87153 | 1.0 | standard |
| 4.53643 | 0.00957242 | standard |
| 4.55022 | 0.588087 | standard |
| 4.56399 | 0.00901912 | standard |
| 7.3693 | 0.0730092 | standard |
| 7.37716 | 0.129244 | standard |
| 7.3857 | 0.10168 | standard |
| 7.42633 | 0.0956789 | standard |
| 7.43487 | 0.132384 | standard |
| 7.44273 | 0.078616 | standard |
| 7.61021 | 0.17471 | standard |
| 7.61904 | 0.162531 | standard |
| 7.7154 | 0.173657 | standard |
| 7.72423 | 0.163536 | standard |
| 3.4369 | 0.999584 | standard |
| 3.87153 | 1.0 | standard |
| 4.53703 | 0.00894338 | standard |
| 4.55022 | 0.580508 | standard |
| 4.5634 | 0.00929477 | standard |
| 7.36974 | 0.0737051 | standard |
| 7.37727 | 0.130893 | standard |
| 7.3853 | 0.100799 | standard |
| 7.42672 | 0.0950446 | standard |
| 7.4349 | 0.129896 | standard |
| 7.44233 | 0.0788959 | standard |
| 7.61041 | 0.174215 | standard |
| 7.61879 | 0.163054 | standard |
| 7.7156 | 0.173296 | standard |
| 7.72398 | 0.163279 | standard |
| 3.4369 | 0.999306 | standard |
| 3.87153 | 1.0 | standard |
| 4.53987 | 0.0148092 | standard |
| 4.55021 | 0.479795 | standard |
| 4.56056 | 0.0150041 | standard |
| 7.37162 | 0.076485 | standard |
| 7.3774 | 0.128026 | standard |
| 7.38362 | 0.0973224 | standard |
| 7.42846 | 0.0930815 | standard |
| 7.43471 | 0.130067 | standard |
| 7.44045 | 0.0805379 | standard |
| 7.61135 | 0.173382 | standard |
| 7.6178 | 0.164439 | standard |
| 7.71654 | 0.17166 | standard |
| 7.72301 | 0.164461 | standard |