4-Nitrophenyl Phosphate (C6H6NO6P)
BMRB entry bmse000264
Entry DOI: doi:10.13018/BMSE000264
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000264.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000264.molAll files for
bmse000264Time Domain Data:
bmse000264.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C6 | C9 | 163.009 | 1 |
| C5 | C10 | 144.518 | 1 |
| C4 | C11 | 122.643 | 1 |
| C3 | C12 | 122.643 | 1 |
| C1 | C13 | 128.413 | 1 |
| C2 | C14 | 128.413 | 1 |
| H18 | H17 | 7.319 | 1 |
| H17 | H18 | 7.319 | 1 |
| H16 | H19 | 8.22 | 1 |
| H15 | H20 | 8.22 | 1 |
NMR experiments
1: 1D 1H
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000264/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000264/nmr/set01/spectra/1H_13C_HSQC.png)