Acetic Acid (C2H4O2)

Acetic Acid bmse000191 - Data bmse000817 - Data bmse000857 - Data bmst000204 - Theory

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BMRB entry bmse000857

Entry DOI: doi:10.13018/BMSE000857
Data source: National Institute of Standards and Technology, Hollings Marine Laboratory - Dan Bearden

NMR-STAR file:

bmse000857.str

NMR-STAR

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Structure file (mol/sdf):

bmse000857.mol

All files for

bmse000857

Time Domain Data:

bmse000857.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
C2C1184.251
C1C425.991
H8H51.9091
H6H61.9091
H7H71.9091

NMR experiments

1: 1D 1H
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse000857_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY
Download time domain data: bmse000857_2.zip

3: 1D DEPT90
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000857_3.zip

4: 1D DEPT135
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #4: 1D DEPT135
Download time domain data: bmse000857_4.zip

5: 2D [1H,13C]-HSQC
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #5: 2D [1H,13C]-HSQC
Download time domain data: bmse000857_5.zip

6: 2D [1H,13C]-HMBC
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #6: 2D [1H,13C]-HMBC
Download time domain data: bmse000857_6.zip

7: 2D [1H,1H]-COSY
Sample: 20mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #7: 2D [1H,1H]-COSY
Download time domain data: bmse000857_7.zip