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

*Links on SpectraBase are not permalinks.
4-[(2R,4R)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one
SpectraBase Compound ID 3oOaa7K6jlM
InChI InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13-/m1/s1
InChIKey QMXLZUOHZGYGDY-IFEDUNNLSA-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 FmwwieKUOkJ
Name 4-[(2R,4R)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13-/m1/s1
InChIKey QMXLZUOHZGYGDY-IFEDUNNLSA-N
Literature Reference Author H.OTSUKA,H.KIJIMA,E.HIRATA,T.SHINZATO,A.TAKUSHI,M.BANDO,Y.TA KEDA
Literature Reference Citation CHEM.PHARM.BULL.,51,286(2003)
Literature Reference DOI 10.1248/cpb.51.286
Molecular Weight 224.300 g/mol
Solvent CD3OD
Source File Reference UWMS21172