BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Nonadecane (C19H40)

View large 3D structure

BMRB entry bmse000764

Entry DOI: doi:10.13018/BMSE000764
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file: bmse000764.str
NMR-STAR interactive viewer
Mol file: bmse000764.mol
All files for bmse000764
Time Domain Data: bmse000764.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C19C131.9544
C19C129.7294
C19C129.6964
C19C129.3984
C17C231.9544
C17C229.7294
C17C229.6964
C17C229.3984
C18C331.9544
C18C329.7294
C18C329.6964
C18C329.3984
C15C431.9544
C15C429.7294
C15C429.6964
C15C429.3984
C16C531.9544
C16C529.7294
C16C529.6964
C16C529.3984
C13C631.9544
C13C629.7294
C13C629.6964
C13C629.3984
C14C731.9544
C14C729.7294
C14C729.6964
C14C729.3984
C11C831.9544
C11C829.7294
C11C829.6964
C11C829.3984
C12C931.9544
C12C929.7294
C12C929.6964
C12C929.3984
C9C1031.9544
C9C1029.7294
C9C1029.6964
C9C1029.3984
C10C1131.9544
C10C1129.7294
C10C1129.6964
C10C1129.3984
C7C1231.9544
C7C1229.7294
C7C1229.6964
C7C1229.3984
C8C1331.9544
C8C1329.7294
C8C1329.6964
C8C1329.3984
C5C1431.9544
C5C1429.7294
C5C1429.6964
C5C1429.3984
C6C1531.9544
C6C1529.7294
C6C1529.6964
C6C1529.3984
C3C1622.7221
C4C1722.7221
C1C1814.1511
C2C1914.1511
H58H201.2554
H59H211.2554
H54H221.2554
H55H231.2554
H56H241.2554
H57H251.2554
H50H261.2554
H51H271.2554
H52H281.2554
H53H291.2554
H46H301.2554
H47H311.2554
H48H321.2554
H49H331.2554
H42H341.2554
H43H351.2554
H44H361.2554
H45H371.2554
H38H381.2554
H39H391.2554
H40H401.2554
H41H411.2554
H34H421.2554
H35H431.2554
H36H441.2554
H37H451.2554
H30H461.2554
H31H471.2554
H32H481.2554
H33H491.2554
H26H501.2554
H27H511.2554
H28H521.2554
H29H531.2554
H22H540.8801
H20H550.8801
H21H560.8801
H23H570.8801
H24H580.8801
H25H590.8801

NMR experiments

1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000764_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000764_2.zip

3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000764_3.zip

4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000764_4.zip

5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000764_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000764_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000764_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000764_8.zip