Biphenyl (C12H10)

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BMRB entry bmse000506

Entry DOI: doi:10.13018/BMSE000506
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000506.str

NMR-STAR

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Structure file (mol/sdf):

bmse000506.mol

All files for

bmse000506

Time Domain Data:

bmse000506.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 CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C11C1141.2281
C12C2141.2281
C7C3127.2434
C9C4127.1634
C8C5127.2434
C10C6127.1634
C3C7128.7451
C5C8128.7451
C4C9128.7451
C6C10128.7451
C1C11127.2434
C2C12127.1634
H19H137.4401
H21H147.4401
H20H157.4401
H22H167.4401
H15H177.5951
H17H187.5951
H16H197.5951
H18H207.5951
H13H217.3441
H14H227.3441

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse000506_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY
Download time domain data: bmse000506_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse000506_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse000506_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse000506_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC
Download time domain data: bmse000506_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC
Download time domain data: bmse000506_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY
Download time domain data: bmse000506_8.zip