Entry DOI: doi:10.13018/BMSE001276
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001276.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001276.molAll files for
bmse001276Time Domain Data:
bmse001276.zipSample and instrument details are given with the spectrum
Set 1
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 116.0162 | 1 |
| C2 | 119.0148 | 1 |
| C3 | 113.3309 | 1 |
| C4 | 93.8813 | 1 |
| C5 | 98.8793 | 1 |
| C6 | 103.6391 | 1 |
| C7 | 121.4498 | 1 |
| C8 | 164.3292 | 1 |
| C9 | 145.769 | 1 |
| C10 | 149.7881 | 1 |
| C11 | 157.3156 | 1 |
| C12 | 181.661 | 1 |
| C13 | 163.8808 | 1 |
| C14 | 161.4904 | 1 |
| C15 | 102.8435 | 1 |
| H22 | 6.8991 | 1 |
| H23 | 7.4258 | 1 |
| H24 | 7.4073 | 1 |
| H25 | 6.454 | 1 |
| H26 | 6.2018 | 1 |
| H27 | 6.684 | 1 |
1: 1D 1H
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

2: 2D 1H-1H TOCSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

3: 1D 13C
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

4: 1D DEPT90
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

5: 1D DEPT135
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

6: 2D 1H-13C HSQC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

7: 2D 1H-13C HSQC SW small
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

9: 2D 1H-1H COSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
