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

*Links on SpectraBase are not permalinks.
ETHYL-(E)-5,5,7-TRIMETHYL-6-OXO-OCT-2-ENOATE
SpectraBase Compound ID 6KX2UAhcVgg
InChI InChI=1S/C13H22O3/c1-6-16-11(14)8-7-9-13(4,5)12(15)10(2)3/h7-8,10H,6,9H2,1-5H3/b8-7+
InChIKey XRKUEJOTDHVBJO-BQYQJAHWSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 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 LBmU8Oa3g1T
Name ETHYL-(E)-5,5,7-TRIMETHYL-6-OXO-OCT-2-ENOATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-6-16-11(14)8-7-9-13(4,5)12(15)10(2)3/h7-8,10H,6,9H2,1-5H3/b8-7+
InChIKey XRKUEJOTDHVBJO-BQYQJAHWSA-N
Literature Reference Author T.K.HUTTON,K.MUIR,D.J.PROCTER
Literature Reference Citation ORG.LETTERS,4,2345(2002)
Literature Reference DOI 10.1021/ol0260472
Molecular Weight 226.316 g/mol
Solvent CDCl3
Source File Reference UWMZ25308