3-Ureidopropionic Acid (C4H8N2O3)

3-Ureidopropionic Acid bmse000333 - Data bmse000641 - Data

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BMRB entry bmse000641

Entry DOI: doi:10.13018/BMSE000641
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000641.str

NMR-STAR

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Structure file (mol/sdf):

bmse000641.mol

All files for

bmse000641

Time Domain Data:

bmse000641.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C635.6961
C1C735.3861
C3C8173.8791
C4C9159.0361
H12H103.1531
H13H113.1531
H10H122.3271
H11H132.3271

NMR experiments

1: 1D 1H
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse000641_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY
Download time domain data: bmse000641_2.zip

3: 1D 13C
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse000641_3.zip

4: 1D DEPT90
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse000641_4.zip

5: 1D DEPT135
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse000641_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC
Download time domain data: bmse000641_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC
Download time domain data: bmse000641_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: N/A
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY
Download time domain data: bmse000641_8.zip