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

*Links on SpectraBase are not permalinks.
(3S,5R,8S)-3-Hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydroazulen-1(2H)-one
SpectraBase Compound ID BiXSzzJjUjj
InChI InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)14-12(7-11)15(4,17)8-13(14)16/h10-11,17H,1,5-8H2,2-4H3/t10-,11+,15-/m0/s1
InChIKey DMGJIXSDTIWKOG-RWSFTLGLSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 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 8ZgE9yb8Vuh
Name (3S,5R,8S)-3-Hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydroazulen-1(2H)-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)14-12(7-11)15(4,17)8-13(14)16/h10-11,17H,1,5-8H2,2-4H3/t10-,11+,15-/m0/s1
InChIKey DMGJIXSDTIWKOG-RWSFTLGLSA-N
Instrument Name Agilent Technologies 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1021/np500819f
Molecular Weight 234.339 g/mol
Reported Formula C15H22O2
SMILES O[C@@]1(C2=C([C@](CC[C@](C2)(C(=C)C)[H])(C)[H])C(C1)=O)C
SPLASH splash10-03gl-7930000000-eb0eb6761946d24963ce
Source of Spectrum G4-78-141-8b
Wiley ID 1865830