BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Diethyl Oxalacetate (C8H12O5)

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BMRB entry bmse000148

Entry DOI: doi:10.13018/BMSE000148
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, Francisca Jofre, John L. Markley

NMR-STAR file: bmse000148.str
NMR-STAR interactive viewer
Mol file: bmse000148.mol
All files for bmse000148
Time Domain Data: bmse000148.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C119.5054
C1C116.4354
C1C116.0264
C1C115.8314
C3C266.4034
C3C264.8074
C3C263.2254
C3C260.1434
C7C4175.4104
C7C4174.3094
C7C4173.4334
C7C4168.1054
C7C4163.0754
C5C666.4034
C5C664.8074
C5C663.2254
C5C660.1434
C6C7175.4104
C6C7174.3094
C6C7173.4334
C6C7168.1054
C6C7163.0754
C8C9175.4104
C8C9174.3094
C8C9173.4334
C8C9168.1054
C8C9163.0754
C4C1266.4034
C4C1264.8074
C4C1263.2254
C4C1260.1434
C2C1319.5054
C2C1316.4354
C2C1316.0264
C2C1315.8314
H14H141.2504
H14H141.1714
H16H151.2504
H16H151.1714
H15H161.2504
H15H161.1714
H20H174.2114
H20H174.1184
H20H173.6424
H21H184.2114
H21H184.1184
H21H183.6424
H24H194.2114
H24H194.1184
H24H193.6424
H25H204.2114
H25H204.1184
H25H203.6424
H22H214.2114
H22H214.1184
H22H213.6424
H23H224.2114
H23H224.1184
H23H223.6424
H19H231.2504
H19H231.1714
H17H241.2504
H17H241.1714
H18H251.2504
H18H251.1714

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000148_1.zip

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

 spectrum for 2
Download time domain data: bmse000148_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000148_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000148_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000148_5.zip

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

 spectrum for 6
Download time domain data: bmse000148_6.zip