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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Benzyl Alcohol (C7H8O)

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BMRB entry bmse000407

Entry DOI: doi:10.13018/BMSE000407
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000407.str
NMR-STAR interactive viewer
Mol file: bmse000407.mol
All files for bmse000407
Time Domain Data: bmse000407.zip

View the GISSMO record for this entry.

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 - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C7C2142.8871
C6C366.6331
C4C4130.2364
C5C5130.5884
C2C6130.2364
C3C7130.2364
C1C8130.5884
H14H94.6321
H15H104.6321
H12H117.414
H13H127.414
H10H137.414
H11H147.414
H9H157.414

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000407_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000407_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000407_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000407_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000407_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000407_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000407_7.zip