4-(Aminomethyl)pyrimidine hydrochloride
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01530 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-(Aminomethyl)pyrimidine hydrochloride | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | 13 | |
|---|---|---|---|---|---|
| 9 | 8.781 | 5.652 | 0 | 0 | 0 |
| 10 | 0 | 7.6 | 0 | 0 | 0.549 |
| 11 | 0 | 0 | 4.352 | -14.0 | 0 |
| 12 | 0 | 0 | 0 | 4.352 | 0 |
| 13 | 0 | 0 | 0 | 0 | 9.147 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.35219 | 1.0 | standard |
| 7.59548 | 0.256592 | standard |
| 7.60481 | 0.256592 | standard |
| 8.77653 | 0.26533 | standard |
| 8.78578 | 0.265331 | standard |
| 9.1473 | 0.482988 | standard |
| 4.35219 | 1.0 | standard |
| 7.52608 | 0.230027 | standard |
| 7.66599 | 0.283838 | standard |
| 8.71515 | 0.296729 | standard |
| 8.85547 | 0.24478 | standard |
| 9.14733 | 0.487663 | standard |
| 4.35219 | 1.0 | standard |
| 7.55166 | 0.238546 | standard |
| 7.64501 | 0.274509 | standard |
| 8.73623 | 0.285527 | standard |
| 8.82978 | 0.249259 | standard |
| 9.14735 | 0.484488 | standard |
| 4.35219 | 1.0 | standard |
| 7.56412 | 0.242662 | standard |
| 7.63412 | 0.269895 | standard |
| 8.74707 | 0.280101 | standard |
| 8.81727 | 0.252494 | standard |
| 9.14733 | 0.48323 | standard |
| 4.35219 | 1.0 | standard |
| 7.56823 | 0.244199 | standard |
| 7.63043 | 0.268179 | standard |
| 8.75081 | 0.278366 | standard |
| 8.81314 | 0.253735 | standard |
| 9.14735 | 0.482839 | standard |
| 4.35219 | 1.0 | standard |
| 7.57147 | 0.245296 | standard |
| 7.62748 | 0.266876 | standard |
| 8.75377 | 0.276951 | standard |
| 8.8099 | 0.254722 | standard |
| 9.14735 | 0.482524 | standard |
| 4.35219 | 1.0 | standard |
| 7.586 | 0.253368 | standard |
| 7.61395 | 0.259398 | standard |
| 8.76727 | 0.268024 | standard |
| 8.79534 | 0.262432 | standard |
| 9.14735 | 0.48196 | standard |
| 4.35219 | 1.0 | standard |
| 7.59071 | 0.256601 | standard |
| 7.60938 | 0.256602 | standard |
| 8.7719 | 0.265091 | standard |
| 8.79061 | 0.2651 | standard |
| 9.14735 | 0.483054 | standard |
| 4.35219 | 1.0 | standard |
| 7.59307 | 0.255884 | standard |
| 7.60712 | 0.255884 | standard |
| 8.77417 | 0.265154 | standard |
| 8.78815 | 0.265157 | standard |
| 9.14735 | 0.481778 | standard |
| 4.35219 | 1.0 | standard |
| 7.59449 | 0.25629 | standard |
| 7.6057 | 0.25629 | standard |
| 8.77554 | 0.265036 | standard |
| 8.78677 | 0.265038 | standard |
| 9.1473 | 0.482384 | standard |
| 4.35219 | 1.0 | standard |
| 7.59548 | 0.256592 | standard |
| 7.60481 | 0.256592 | standard |
| 8.77653 | 0.26533 | standard |
| 8.78578 | 0.265331 | standard |
| 9.1473 | 0.482988 | standard |
| 4.35219 | 1.0 | standard |
| 7.59612 | 0.256133 | standard |
| 7.60407 | 0.256133 | standard |
| 8.77712 | 0.264824 | standard |
| 8.78519 | 0.264824 | standard |
| 9.14735 | 0.481745 | standard |
| 4.35219 | 1.0 | standard |
| 7.59636 | 0.257036 | standard |
| 7.60383 | 0.257036 | standard |
| 8.77742 | 0.265019 | standard |
| 8.7849 | 0.265019 | standard |
| 9.14735 | 0.479152 | standard |
| 4.35219 | 1.0 | standard |
| 7.59666 | 0.25608 | standard |
| 7.60363 | 0.25608 | standard |
| 8.77761 | 0.264723 | standard |
| 8.7847 | 0.264723 | standard |
| 9.1473 | 0.481739 | standard |
| 4.35219 | 1.0 | standard |
| 7.597 | 0.256547 | standard |
| 7.60324 | 0.253585 | standard |
| 8.77801 | 0.26472 | standard |
| 8.78431 | 0.26472 | standard |
| 9.14735 | 0.482976 | standard |
| 4.35219 | 1.0 | standard |
| 7.5972 | 0.255667 | standard |
| 7.60309 | 0.255667 | standard |
| 8.7782 | 0.265014 | standard |
| 8.78411 | 0.265014 | standard |
| 9.14735 | 0.481104 | standard |
| 4.35219 | 1.0 | standard |
| 7.59734 | 0.257753 | standard |
| 7.60295 | 0.257753 | standard |
| 8.7783 | 0.265013 | standard |
| 8.78391 | 0.265013 | standard |
| 9.14735 | 0.479146 | standard |
| 4.35219 | 1.0 | standard |
| 7.59798 | 0.257082 | standard |
| 7.60231 | 0.257082 | standard |
| 8.77899 | 0.26491 | standard |
| 8.78332 | 0.26491 | standard |
| 9.14735 | 0.48417 | standard |