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METHYL-(E)-6-[5-(ACETOXYMETHYL)-7-METHOXY-2,2-DIMETHYL-4-OXO-4H-BENZO-[D]-[1,3]-DIOXIN-8-YL]-4-METHYLHEX-4-ENOATE
SpectraBase Compound ID 4YH5MU7ZIe7
InChI InChI=1S/C22H28O8/c1-13(8-10-18(24)27-6)7-9-16-17(26-5)11-15(12-28-14(2)23)19-20(16)29-22(3,4)30-21(19)25/h7,11H,8-10,12H2,1-6H3/b13-7+
InChIKey JDJVGYGAHLLCFU-NTUHNPAUSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L08fjk2TveR
Name METHYL-(E)-6-[5-(ACETOXYMETHYL)-7-METHOXY-2,2-DIMETHYL-4-OXO-4H-BENZO-[D]-[1,3]-DIOXIN-8-YL]-4-METHYLHEX-4-ENOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-13(8-10-18(24)27-6)7-9-16-17(26-5)11-15(12-28-14(2)23)19-20(16)29-22(3,4)30-21(19)25/h7,11H,8-10,12H2,1-6H3/b13-7+
InChIKey JDJVGYGAHLLCFU-NTUHNPAUSA-N
Literature Reference Author P.A.BROOKES,J.CORDES,A.J.P.WHITE,A.G.M.BARRETT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7313(2013)
Literature Reference DOI 10.1002/ejoc.201300974
Molecular Weight 420.460 g/mol
Solvent CDCl3
Source File Reference UWBT20328