Pinocarveol (C10H16O)
BMRB entry bmse000561
Entry DOI: doi:10.13018/BMSE000561
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000561.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000561.molAll files for
bmse000561Time Domain Data:
bmse000561.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C10 | C2 | 43.079 | 1 |
| C7 | C3 | 42.498 | 1 |
| C8 | C4 | 53.211 | 1 |
| C4 | C5 | 30.571 | 1 |
| C5 | C6 | 37.114 | 1 |
| C6 | C7 | 158.786 | 1 |
| C9 | C8 | 69.704 | 1 |
| C2 | C9 | 28.588 | 2 |
| C3 | C10 | 24.609 | 2 |
| C1 | C11 | 114.081 | 1 |
| H24 | H12 | 1.999 | 1 |
| H25 | H13 | 2.518 | 1 |
| H20 | H14 | 2.394 | 2 |
| H21 | H15 | 1.716 | 2 |
| H22 | H16 | 2.238 | 2 |
| H23 | H17 | 1.848 | 2 |
| H26 | H18 | 4.425 | 1 |
| H14 | H19 | 1.281 | 4 |
| H16 | H20 | 0.645 | 4 |
| H15 | H21 | 1.281 | 4 |
| H19 | H22 | 0.645 | 4 |
| H17 | H23 | 1.281 | 4 |
| H18 | H24 | 0.645 | 4 |
| H12 | H25 | 5.000 | 2 |
| H13 | H26 | 4.821 | 2 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
