(R)-2-hydroxybutyric Acid - Bmse000361 - Data - BMRB

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(R)-2-hydroxybutyric Acid (C4H8O3)(R)-2-hydroxybutyric Acid bmse000361 - Data

View large 3D structure

BMRB entry bmse000361

Entry DOI: doi:10.13018/BMSE000361Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000361.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000361.mol

All files for

bmse000361

Time Domain Data:

bmse000361.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C429.7571
C3C576.1441
C1C611.3181
C4C7184.3181
H11H81.6832
H12H91.6832
H13H103.9841
H8H110.8872
H9H120.8872
H10H130.8872

NMR experiments

1: 1D 1HSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #1: 1D 1H Download time domain data: bmse000361_1.zip

2: 2D [1H,1H]-TOCSYSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY Download time domain data: bmse000361_2.zip

3: 1D 13CSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #3: 1D 13C Download time domain data: bmse000361_3.zip

4: 1D DEPT90Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #4: 1D DEPT90 Download time domain data: bmse000361_4.zip

5: 1D DEPT135Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000361_5.zip

6: 2D [1H,13C]-HSQCSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC Download time domain data: bmse000361_6.zip

7: 2D [1H,13C]-HMBCSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000361_7.zip

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