Gamma-terpinene (C10H16)
BMRB entry bmse000778
Entry DOI: doi:10.13018/BMSE000778
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000778.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000778.molAll files for
bmse000778Time Domain Data:
bmse000778.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C8 | C1 | 34.534 | 1 |
| C10 | C2 | 140.638 | 1 |
| C6 | C3 | 27.511 | 1 |
| C5 | C4 | 31.601 | 1 |
| C7 | C5 | 115.98 | 1 |
| C9 | C6 | 131.305 | 1 |
| C4 | C7 | 118.855 | 1 |
| C1 | C8 | 21.299 | 1 |
| C2 | C9 | 21.299 | 1 |
| C3 | C10 | 23.023 | 1 |
| H26 | H11 | 2.202 | 1 |
| H23 | H12 | 2.601 | 4 |
| H24 | H13 | 2.601 | 4 |
| H21 | H14 | 2.601 | 4 |
| H22 | H15 | 2.601 | 4 |
| H25 | H16 | 5.439 | 4 |
| H20 | H17 | 5.439 | 4 |
| H16 | H18 | 1.014 | 1 |
| H14 | H19 | 1.014 | 1 |
| H15 | H20 | 1.014 | 1 |
| H13 | H21 | 1.014 | 1 |
| H11 | H22 | 1.014 | 1 |
| H12 | H23 | 1.014 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM 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/bmse000778/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM 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/bmse000778/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: 100mM 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/bmse000778/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000778/nmr/set01/spectra/HH_COSY.png)
9: 2D [1H,13C]-HMQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #9: 2D [1H,13C]-HMQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000778/nmr/set01/spectra/1H_13C_HMQC.png)