Formononetin (C16H12O4)

Formononetin bmse001231 - Data

View large 3D structure

BMRB entry bmse001231

Entry DOI: doi:10.13018/BMSE001231
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001231.str

NMR-STAR

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Structure file (mol/sdf):

bmse001231.mol

All files for

bmse001231

Time Domain Data:

bmse001231.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C155.15141
C2130.10011
C3130.10011
C4115.20161
C5113.60441
C6113.60441
C7127.33191
C8102.13891
C9153.21191
C10124.2351
C11162.57781
C12158.95591
C13116.62021
C14123.15481
C15157.4551
C16174.62471
H213.79691
H223.79691
H233.79691
H247.51691
H257.51691
H266.95581
H277.00751
H287.00751
H297.99251
H306.88881
H318.36241
H3210.821

NMR experiments

1: 1D 1H
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001231_1.zip

2: 2D 1H-1H TOCSY
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001231_2.zip

3: 1D 13C
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001231_3.zip

4: 1D DEPT90
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001231_4.zip

5: 1D DEPT135
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001231_5.zip

6: 2D 1H-13C HSQC
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001231_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001231_7.zip

8: 2D 1H-13C HMBC
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001231_8.zip

9: 2D 1H-1H COSY
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001231_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 75mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001231_10.zip