Eucalyptol (C10H18O)
BMRB entry bmse000523
Entry DOI: doi:10.13018/BMSE000523
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000523.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000523.molAll files for
bmse000523Time Domain Data:
bmse000523.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 |
|---|---|---|---|
| C8 | C2 | 33.456 | 1 |
| C10 | C3 | 70.337 | 1 |
| C9 | C4 | 74.178 | 1 |
| C4 | C5 | 23.361 | 1 |
| C5 | C6 | 23.361 | 1 |
| C6 | C7 | 32.034 | 1 |
| C7 | C8 | 32.034 | 1 |
| C3 | C9 | 28.127 | 1 |
| C1 | C10 | 29.431 | 1 |
| C2 | C11 | 29.431 | 1 |
| H29 | H12 | 1.416 | 1 |
| H21 | H13 | 2.031 | 4 |
| H22 | H14 | 1.506 | 4 |
| H23 | H15 | 2.031 | 4 |
| H24 | H16 | 1.506 | 4 |
| H25 | H17 | 1.675 | 4 |
| H26 | H18 | 1.506 | 4 |
| H27 | H19 | 1.675 | 4 |
| H28 | H20 | 1.506 | 4 |
| H20 | H21 | 1.061 | 1 |
| H18 | H22 | 1.061 | 1 |
| H19 | H23 | 1.061 | 1 |
| H13 | H24 | 1.249 | 1 |
| H14 | H25 | 1.249 | 1 |
| H12 | H26 | 1.249 | 1 |
| H15 | H27 | 1.249 | 1 |
| H17 | H28 | 1.249 | 1 |
| H16 | H29 | 1.249 | 1 |
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
