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(4E)-2-[(3E)-2-OXO-3-PENTENYL]-4,6-HEPTADIENOIC-ACID-METHYLESTER
SpectraBase Compound ID J4ANTbGudQC
InChI InChI=1S/C13H18O3/c1-4-6-7-9-11(13(15)16-3)10-12(14)8-5-2/h4-8,11H,1,9-10H2,2-3H3/b7-6+,8-5+
InChIKey DLJDKUWVWSJYNM-ZCOYIIAOSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Bs1kKlAyIL
Name (4E)-2-[(3E)-2-OXO-3-PENTENYL]-4,6-HEPTADIENOIC-ACID-METHYLESTER
CAS Registry Number 139759-97-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-6-7-9-11(13(15)16-3)10-12(14)8-5-2/h4-8,11H,1,9-10H2,2-3H3/b7-6+,8-5+
InChIKey DLJDKUWVWSJYNM-ZCOYIIAOSA-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 222.284 g/mol
Solvent CDCl3
Source File Reference UWCS9075