D-Carnitine (C7H16NO3+)

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BMRB entry bmse000949

Entry DOI: doi:10.13018/BMSE000949
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000949.str

NMR-STAR

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Structure file (mol/sdf):

bmse000949.mol

All files for

bmse000949

Time Domain Data:

bmse000949.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C156.8281
C1C156.7991
C1C156.7691
C2C356.8281
C2C356.7991
C2C356.7691
C3C456.8281
C3C456.7991
C3C456.7691
C5C572.8271
C5C572.8061
C5C572.7861
C6C666.8031
C4C845.7031
C7C9180.8221
H12H123.216
H13H133.216
H14H143.216
H16H153.216
H17H163.216
H15H173.216
H20H183.216
H19H193.216
H18H203.216
H23H213.424
H24H223.424
H25H234.558
H21H252.424
H22H262.424

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 1
Download time domain data: bmse000949_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 2
Download time domain data: bmse000949_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 3
Download time domain data: bmse000949_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 4
Download time domain data: bmse000949_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 5
Download time domain data: bmse000949_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 6
Download time domain data: bmse000949_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 7
Download time domain data: bmse000949_7.zip

8: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 8
Download time domain data: bmse000949_8.zip