Papaverine Hydrochloride (C20H21NO4)

Papaverine Hydrochloride bmse001240 - Data

View large 3D structure

BMRB entry bmse001240

Entry DOI: doi:10.13018/BMSE001240
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001240.str

NMR-STAR

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Structure file (mol/sdf):

bmse001240.mol

All files for

bmse001240

Time Domain Data:

bmse001240.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C155.43111
C255.56621
C356.52161
C456.68421
C5112.02411
C6120.97571
C7121.72024
C8129.71494
C935.23571
C10112.92361
C11105.50014
C12106.6884
C13128.43431
C14136.57571
C15136.57571
C16154.37221
C17152.02064
C18156.47744
C19147.85054
C20148.81234
H263.67291
H273.67291
H283.67291
H293.71931
H303.71931
H313.71931
H324.01291
H334.01291
H344.01291
H354.01291
H364.01291
H374.01291
H386.86521
H396.95691
H408.12984
H418.37434
H424.88351
H434.88351
H447.33131
H457.73254
H467.88914

NMR experiments

1: 1D 1H
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001240_1.zip

2: 2D 1H-1H TOCSY
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001240_2.zip

3: 1D 13C
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001240_3.zip

4: 1D DEPT90
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001240_4.zip

5: 1D DEPT135
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001240_5.zip

6: 2D 1H-13C HSQC
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001240_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001240_7.zip

8: 2D 1H-13C HMBC
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001240_8.zip

9: 2D 1H-1H COSY
Sample: 25mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001240_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 25mM 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: bmse001240_10.zip