| SpectraBase Spectrum ID |
6TbzgOb88S2 |
| Name |
Conitriol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-10-4-6-14(16(2,3)19)12(8-10)13-9-11(17)5-7-15(13)18/h5,7-9,12,14,17-19H,4,6H2,1-3H3/t12-,14-/m0/s1 |
| InChIKey |
HXXDVTQQHVHJLS-JSGCOSHPSA-N |
| Instrument Name |
Finnigan Voyager GC 8000top |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020176+ |
| Optical Rotation |
[a]D27 = +1.0 (c = 0.26, CHCl3) |
| Reported Formula |
C16H22O3 |
| SMILES |
Oc1ccc(c([C@]2([C@@](C(C)(C)O)(CCC(=C2)C)[H])[H])c1)O |
| SPLASH |
splash10-03di-0890000000-8316a28f8ed5d7012489 |
| Source of Spectrum |
G4-65-1331-4 |
| Wiley ID |
1883872 |
