5-Methylfuran-2-carbaldehyde (C6H6O2)

5-Methylfuran-2-carbaldehyde bmse001191 - Data

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BMRB entry bmse001191

Entry DOI: doi:10.13018/BMSE001191
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001191.str

NMR-STAR

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Structure file (mol/sdf):

bmse001191.mol

All files for

bmse001191

Time Domain Data:

bmse001191.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C5160.24671
C2110.22091
C6153.16821
C3124.6381
C113.79261
C4177.33591
H126.38391
H137.33341
H112.3991
H92.3991
H102.3991
H149.5131

NMR experiments

1: 1D 1H
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 1
Download time domain data: bmse001191_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 2
Download time domain data: bmse001191_2.zip

3: 1D 13C
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 3
Download time domain data: bmse001191_3.zip

4: 1D DEPT90
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 4
Download time domain data: bmse001191_4.zip

5: 1D DEPT135
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 5
Download time domain data: bmse001191_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 6
Download time domain data: bmse001191_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001191_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 8
Download time domain data: bmse001191_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 9
Download time domain data: bmse001191_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Acetone-d6, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 10
Download time domain data: bmse001191_10.zip