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

*Links on SpectraBase are not permalinks.
(4E)-2-[4-METHYL-2-OXO-3-PENTENYL]-4,6-HEPTADIENOIC-ACID-METHYLESTER
SpectraBase Compound ID JoqQMH43gyA
InChI InChI=1S/C14H20O3/c1-5-6-7-8-12(14(16)17-4)10-13(15)9-11(2)3/h5-7,9,12H,1,8,10H2,2-4H3/b7-6+
InChIKey XXZRXMBDLCHWQY-VOTSOKGWSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 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 Kmnh1heN1wL
Name (4E)-2-[4-METHYL-2-OXO-3-PENTENYL]-4,6-HEPTADIENOIC-ACID-METHYLESTER
CAS Registry Number 139759-99-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-6-7-8-12(14(16)17-4)10-13(15)9-11(2)3/h5-7,9,12H,1,8,10H2,2-4H3/b7-6+
InChIKey XXZRXMBDLCHWQY-VOTSOKGWSA-N
Literature Reference Author S.HUENIG,M.KOCH
Literature Reference Citation CHEM.BER.,125,1635(1992)
Literature Reference DOI 10.1002/cber.19921250719
Molecular Weight 236.311 g/mol
Solvent CDCl3
Source File Reference UWCS9077