BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

5-Methylfuran-2-carbaldehyde (C6H6O2)

Natural Isotopic formula weight: 110.11064

View large 3D structure

bmse001191 Data

Entry STAR file: bmse001191.str
NMR-STAR interactive viewer
Mol file: bmse001191.mol
All files for bmse001191
Time Domain Data: bmse001191.zip
BMRB Entry DOI: doi:10.13018/BMSE001191

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

Concentration and pH are given with spectrum
Spectrometer: Bruker Avance III - 500 MHz

Data Source: National Magnetic Resonance Facility at Madison - Maria . Nesterova ., Lawrence J. Clos II, Christopher . Stancic ., Mark E. Anderson ., John L. Markley ..

View the GISSMO record for this entry.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773

Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D 1H, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_1.zip

2D 1H-1H TOCSY

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-1H TOCSY, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_2.zip

1D 13C

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D 13C, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_3.zip

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D DEPT90, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_4.zip

1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: Unknown
1D DEPT135, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_5.zip

2D 1H-13C HSQC

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HSQC, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_6.zip

2D 1H-13C HSQC SW small

Concentration: 100 mM
temperature: 298 K
pH: Unknown
Download time domain data: bmse001191_7.zip

2D 1H-13C HMBC

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HMBC, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_8.zip

2D 1H-1H COSY

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-1H COSY, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_9.zip

2D 1H-13C HSQC-TOCSY-ADIA

Concentration: 100 mM
temperature: 298 K
pH: Unknown
2D 1H-13C HSQC-TOCSY-ADIA, Unknown spectrum for 5-Methylfuran-2-carbaldehyde
Download time domain data: bmse001191_10.zip