Fluorene (C13H10)
BMRB entry bmse000524
Entry DOI: doi:10.13018/BMSE000524
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000524.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000524.molAll files for
bmse000524Time Domain Data:
bmse000524.zipView 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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | C1 | 36.999 | 1 |
| C10 | C2 | 143.293 | 1 |
| C11 | C3 | 143.293 | 1 |
| C12 | C4 | 141.781 | 1 |
| C13 | C5 | 141.781 | 1 |
| C5 | C6 | 125.106 | 1 |
| C6 | C7 | 125.106 | 1 |
| C7 | C8 | 119.950 | 1 |
| C8 | C9 | 119.950 | 1 |
| C1 | C10 | 126.791 | 4 |
| C2 | C11 | 126.791 | 4 |
| C3 | C12 | 126.791 | 4 |
| C4 | C13 | 126.791 | 4 |
| H22 | H14 | 3.898 | 1 |
| H23 | H15 | 3.898 | 1 |
| H18 | H16 | 7.542 | 1 |
| H19 | H17 | 7.542 | 1 |
| H20 | H18 | 7.789 | 1 |
| H21 | H19 | 7.789 | 1 |
| H14 | H20 | 7.373 | 4 |
| H15 | H21 | 7.299 | 4 |
| H16 | H22 | 7.373 | 4 |
| H17 | H23 | 7.299 | 4 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000524/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000524/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000524/nmr/set01/spectra/1H_13C_HMBC.png)