| SpectraBase Spectrum ID |
CrUtqKdwohl |
| Name |
1,4-diacetoxy-2-[(1'E)-3'-methoxy-3',7'-dimethylocta-1',6'-dienyl]benzene |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-15(2)8-7-12-21(5,24-6)13-11-18-14-19(25-16(3)22)9-10-20(18)26-17(4)23/h8-11,13-14H,7,12H2,1-6H3/b13-11+ |
| InChIKey |
MBBTVIPSZFBFLZ-ACCUITESSA-N |
| Instrument Name |
Finnigan Voyager GC 8000top |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020176+ |
| Molecular Weight |
360.450 g/mol |
| Optical Rotation |
[a]D27 = +7.8 (c = 0.19, CHCl3) |
| Reported Formula |
C21H28O5 |
| SMILES |
c1c(c(cc(c1)OC(C)=O)\C=C\C(CCC=C(C)C)(OC)C)OC(C)=O |
| SPLASH |
splash10-0ik9-0890000000-1856d29b1e020046a772 |
| Source of Spectrum |
G4-65-1330-10 |
| Wiley ID |
1883868 |
![1,2-DIACETOXY-2-[(1'E)-3'-METHOXY-3',7'-DIMETHYLOCTA-1',6'-DIENYL]-BENZENE](/api/spectrum/CrUtqKdwohl/structure.png?h=300&w=458 "1,2-DIACETOXY-2-[(1'E)-3'-METHOXY-3',7'-DIMETHYLOCTA-1',6'-DIENYL]-BENZENE")
