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METHYL-4-OXO-2-[2-[(1E)-PROPEN-1-YL]-BENZYL]-PENTANOATE
SpectraBase Compound ID 1yXWPgeqb67
InChI InChI=1S/C16H20O3/c1-4-7-13-8-5-6-9-14(13)11-15(10-12(2)17)16(18)19-3/h4-9,15H,10-11H2,1-3H3/b7-4+
InChIKey LMVVEPCDEWMWHD-QPJJXVBHSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20FKExLNYcD
Name METHYL-4-OXO-2-[2-[(1E)-PROPEN-1-YL]-BENZYL]-PENTANOATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-4-7-13-8-5-6-9-14(13)11-15(10-12(2)17)16(18)19-3/h4-9,15H,10-11H2,1-3H3/b7-4+
InChIKey LMVVEPCDEWMWHD-QPJJXVBHSA-N
Literature Reference Author J.SAADI,I.BRUEDGAM,H.U.REISSIG
Literature Reference Citation BEIL.J.ORG.CHEM.,6,1229(2010)
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 260.333 g/mol
Solvent CDCl3
Source File Reference UWBT10312