Octamethylcyclotetrasiloxane (C8H24O4Si4)
BMRB entry bmse000765
Entry DOI: doi:10.13018/BMSE000765
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000765.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000765.molAll files for
bmse000765Time Domain Data:
bmse000765.zipView the GISSMO record for this entry.
Sample 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 |
|---|---|---|---|
| C1 | C9 | 0.764 | 1 |
| C2 | C10 | 0.764 | 1 |
| C3 | C11 | 0.764 | 1 |
| C4 | C12 | 0.764 | 1 |
| C5 | C13 | 0.764 | 1 |
| C6 | C14 | 0.764 | 1 |
| C7 | C15 | 0.764 | 1 |
| C8 | C16 | 0.764 | 1 |
| H18 | H17 | 0.095 | 1 |
| H19 | H18 | 0.095 | 1 |
| H17 | H19 | 0.095 | 1 |
| H21 | H20 | 0.095 | 1 |
| H20 | H21 | 0.095 | 1 |
| H22 | H22 | 0.095 | 1 |
| H24 | H23 | 0.095 | 1 |
| H23 | H24 | 0.095 | 1 |
| H25 | H25 | 0.095 | 1 |
| H28 | H26 | 0.095 | 1 |
| H27 | H27 | 0.095 | 1 |
| H26 | H28 | 0.095 | 1 |
| H30 | H29 | 0.095 | 1 |
| H31 | H30 | 0.095 | 1 |
| H29 | H31 | 0.095 | 1 |
| H32 | H32 | 0.095 | 1 |
| H34 | H33 | 0.095 | 1 |
| H33 | H34 | 0.095 | 1 |
| H36 | H35 | 0.095 | 1 |
| H35 | H36 | 0.095 | 1 |
| H37 | H37 | 0.095 | 1 |
| H39 | H38 | 0.095 | 1 |
| H38 | H39 | 0.095 | 1 |
| H40 | H40 | 0.095 | 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/bmse000765/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/bmse000765/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/bmse000765/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/bmse000765/nmr/set01/spectra/HH_COSY.png)