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(4E,6E)-2-[4-METHYL-2-OXO-3-PENTENYL]-4,6-OCTADIENOIC-ACID-METHYLESTER
SpectraBase Compound ID KXRl3YjxYop
InChI InChI=1S/C15H22O3/c1-5-6-7-8-9-13(15(17)18-4)11-14(16)10-12(2)3/h5-8,10,13H,9,11H2,1-4H3/b6-5+,8-7+
InChIKey RQLLKXOHVNXFFB-BSWSSELBSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzvzlKfACfD
Name (4E,6E)-2-[4-METHYL-2-OXO-3-PENTENYL]-4,6-OCTADIENOIC-ACID-METHYLESTER
CAS Registry Number 139760-00-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-5-6-7-8-9-13(15(17)18-4)11-14(16)10-12(2)3/h5-8,10,13H,9,11H2,1-4H3/b6-5+,8-7+
InChIKey RQLLKXOHVNXFFB-BSWSSELBSA-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 250.338 g/mol
Solvent CDCl3
Source File Reference UWCS9078