2-prop-2-enylphenol (C9H10O)
BMRB entry bmse001195
Entry DOI: doi:10.13018/BMSE001195
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001195.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001195.molAll files for
bmse001195Time Domain Data:
bmse001195.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C8 | 125.1985 | 1 |
| C5 | 35.148 | 1 |
| C9 | 154.0704 | 1 |
| C6 | 130.4756 | 1 |
| C7 | 115.7988 | 1 |
| C3 | 120.9244 | 1 |
| C4 | 127.9155 | 1 |
| C2 | 136.3602 | 1 |
| C1 | 116.5264 | 1 |
| H20 | 3.4166 | 1 |
| H16 | 3.4166 | 1 |
| H17 | 7.1137 | 1 |
| H18 | 6.8097 | 1 |
| H19 | 6.8914 | 1 |
| H14 | 7.1409 | 1 |
| H15 | 6.0158 | 1 |
| H11 | 5.1629 | 1 |
| H12 | 5.1629 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
