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

*Links on SpectraBase are not permalinks.
(E)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethyl-1-cyclohexenyl]but-3-en-2-one
SpectraBase Compound ID FNaDWg9dUQA
InChI InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11-12,15-16H,7H2,1-4H3/b6-5+/t11-,12+/m0/s1
InChIKey FXRGLHAKDUTPCV-CYLBZQBVSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID xexRkJFdr8
Name (E)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethyl-1-cyclohexenyl]but-3-en-2-one
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11-12,15-16H,7H2,1-4H3/b6-5+/t11-,12+/m0/s1
InChIKey FXRGLHAKDUTPCV-CYLBZQBVSA-N
Literature Reference Author H.XIE,T.WANG,H.MATSUDA,T.MORIKAWA,M.YOSHIKAWA,T.TANI
Literature Reference Citation CHEM.PHARM.BULL.,53,1416(2005)
Literature Reference DOI 10.1248/cpb.53.1416
Molecular Weight 224.300 g/mol
Sample ID 33422
Solvent CDCl3