3-Hydroxybutyrate (C4H8O3)

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BMRB entry bmse000905

Entry DOI: doi:10.13018/BMSE000905
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000905.str

NMR-STAR

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Structure file (mol/sdf):

bmse000905.mol

All files for

bmse000905

Time Domain Data:

bmse000905.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
C3C168.4331
C2C249.2531
C4C3183.2281
C1C624.4421
H13H84.1391
H11H92.3431
H12H102.3431
H10H121.1871
H8H131.1871
H9H141.1871

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: bmse000905_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: bmse000905_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: bmse000905_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: bmse000905_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: bmse000905_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: bmse000905_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: bmse000905_7.zip

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

Array spectrum for 8
Download time domain data: bmse000905_8.zip

9: 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 9
Download time domain data: bmse000905_9.zip