Rotenone (C23H22O6)

Rotenone bmse001243 - Data

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BMRB entry bmse001243

Entry DOI: doi:10.13018/BMSE001243
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001243.str

NMR-STAR

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Structure file (mol/sdf):

bmse001243.mol

All files for

bmse001243

Time Domain Data:

bmse001243.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C1112.59791
C217.12721
C355.84054
C456.27584
C5129.97691
C6104.88981
C7110.21021
C831.25251
C9100.84011
C1066.26361
C11143.00351
C12113.31231
C13104.75451
C14112.96041
C15113.31231
C1687.83331
C17147.32171
C18143.8244
C19149.4224
C2072.18011
C2144.5681
C22188.94941
C23157.92961
H304.94352
H315.07562
H321.77311
H331.77311
H341.77311
H353.76954
H363.76954
H373.76954
H383.81694
H393.81694
H403.81694
H417.84271
H426.51361
H436.77011
H442.96632
H453.32992
H466.45141
H474.19462
H484.62592
H495.24581
H504.93921
H513.84851

NMR experiments

1: 1D 1H
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001243_1.zip

2: 2D 1H-1H TOCSY
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001243_2.zip

3: 1D 13C
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001243_3.zip

4: 1D DEPT90
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001243_4.zip

5: 1D DEPT135
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001243_5.zip

6: 2D 1H-13C HSQC
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001243_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001243_7.zip

8: 2D 1H-13C HMBC
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001243_8.zip

9: 2D 1H-1H COSY
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001243_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001243_10.zip