Quinidine (C20H24N2O2)

View large 3D structure

BMRB entry bmse000511

Entry DOI: doi:10.13018/BMSE000511
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000511.str

NMR-STAR

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Structure file (mol/sdf):

bmse000511.mol

All files for

bmse000511

Time Domain Data:

bmse000511.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C14C528.2701
C19C659.7841
C10C721.1861
C13C840.1361
C7C926.4851
C12C1050.1814
C9C1149.6634
C20C1271.9811
C3C13140.7371
C16C14148.0401
C1C15114.4981
C17C16126.6171
C6C17118.4681
C18C18144.0411
C11C19101.3011
C8C20147.4951
C5C21131.4051
C15C22157.6091
C4C23121.4351
C2C2455.5901
H45H251.7391
H46H263.0271
H39H272.0292
H40H281.1272
H44H292.2121
H34H301.4691
H35H311.4691
H42H322.7364
H43H332.8724
H37H343.3194
H38H352.7364
H47H365.5581
H30H376.0331
H48H384.6861
H25H395.0312
H26H405.0312
H33H417.4911
H41H427.1621
H36H438.5361
H32H447.9191
H31H457.2741
H28H463.8471
H27H473.8471
H29H483.8471

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000511_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000511_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000511_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000511_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000511_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000511_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000511_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000511_8.zip