5-Methylfuran-2-carbaldehyde

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01216
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
	Note 1	Oscar Li

Sample description:

Compound	Type	Concentration
5-Methylfuran-2-carbaldehyde	solute	100mM
Acetone-d6	solvent	100.0%
TMS	reference	0.05%

Show/Hide Spin System Matrix

Spin System Matrix

	9	10	11	12	13	14
9	2.413	0	-12.4	0	0	0
10	0	2.413	0	0	0	0
11	0	0	2.413	0	0	0
12	0	0	0	6.393	3.465	0
13	0	0	0	0	7.344	0
14	0	0	0	0	0	9.533

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
2.4125	1.0	standard
6.38921	0.177793	standard
6.39609	0.17778	standard
7.34021	0.177793	standard
7.34709	0.17778	standard
9.53329	0.333324	standard
2.4125	1.0	standard
6.34789	0.163892	standard
6.43369	0.192101	standard
7.30262	0.19211	standard
7.38851	0.163856	standard
9.53329	0.333324	standard
2.4125	1.0	standard
6.36319	0.168484	standard
6.42039	0.187334	standard
7.31591	0.187337	standard
7.37311	0.168488	standard
9.53329	0.333336	standard
2.4125	1.0	standard
6.37075	0.17078	standard
6.4137	0.184899	standard
7.3227	0.18493	standard
7.36565	0.170756	standard
9.53329	0.333315	standard
2.4125	1.0	standard
6.3732	0.171578	standard
6.41134	0.184154	standard
7.32497	0.184155	standard
7.3631	0.17158	standard
9.53329	0.333334	standard
2.4125	1.0	standard
6.37516	0.17215	standard
6.40957	0.183473	standard
7.32683	0.183532	standard
7.36114	0.172214	standard
9.53329	0.333334	standard
2.4125	1.0	standard
6.384	0.177792	standard
6.4012	0.177782	standard
7.3352	0.177913	standard
7.3523	0.177902	standard
9.53329	0.333326	standard
2.4125	1.0	standard
6.38695	0.177907	standard
6.39835	0.177907	standard
7.33795	0.177727	standard
7.34945	0.177727	standard
9.53329	0.333333	standard
2.4125	1.0	standard
6.38832	0.177668	standard
6.39698	0.177667	standard
7.33942	0.177908	standard
7.34797	0.177906	standard
9.53329	0.333334	standard
2.4125	1.0	standard
6.38921	0.177779	standard
6.39609	0.177666	standard
7.34021	0.177804	standard
7.34709	0.177641	standard
9.53329	0.333216	standard
2.4125	1.0	standard
6.3898	0.177872	standard
6.3955	0.177405	standard
7.3408	0.177872	standard
7.3465	0.177405	standard
9.53329	0.332833	standard
2.4125	1.0	standard
6.39019	0.177785	standard
6.39511	0.177784	standard
7.34119	0.177785	standard
7.34611	0.177784	standard
9.53329	0.333334	standard
2.4125	1.0	standard
6.39039	0.17809	standard
6.39491	0.178089	standard
7.34139	0.177637	standard
7.34601	0.177637	standard
9.53329	0.333333	standard
2.4125	1.0	standard
6.39049	0.177688	standard
6.39481	0.177506	standard
7.34149	0.177688	standard
7.34581	0.177506	standard
9.53329	0.333204	standard
2.4125	1.0	standard
6.39078	0.177729	standard
6.39462	0.177695	standard
7.34178	0.177729	standard
7.34562	0.177695	standard
9.53329	0.333309	standard
2.4125	1.0	standard
6.39088	0.177715	standard
6.39452	0.177553	standard
7.34188	0.177715	standard
7.34552	0.177553	standard
9.53329	0.333218	standard
2.4125	1.0	standard
6.39098	0.177785	standard
6.39442	0.177785	standard
7.34198	0.177785	standard
7.34542	0.177785	standard
9.53329	0.333333	standard
2.4125	1.0	standard
6.39108	0.177778	standard
6.39422	0.177775	standard
7.34208	0.177778	standard
7.34522	0.177775	standard
9.53329	0.333539	standard
2.4125	1.0	standard
6.39137	0.177489	standard
6.39403	0.177625	standard
7.34237	0.17772	standard
7.34503	0.177393	standard
9.53329	0.333017	standard

View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks

Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

5-Methylfuran-2-carbaldehyde

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help