For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Conitriol
SpectraBase Compound ID 5bHSuuM1IiU
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
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6TbzgOb88S2
Name Conitriol
Appearance Colorless oil
Copyright Copyright © 2020-2025 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