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METHYL-(E)-6-[5-(ACETOXYMETHYL)-7-HYDROXY-2,2-DIMETHYL-4-OXO-4H-BENZO-[D]-[1,3]-DIOXIN-8-YL]-4-METHYLHEX-4-ENOATE
SpectraBase Compound ID JkTTCMkGyaf
InChI InChI=1S/C21H26O8/c1-12(7-9-17(24)26-5)6-8-15-16(23)10-14(11-27-13(2)22)18-19(15)28-21(3,4)29-20(18)25/h6,10,23H,7-9,11H2,1-5H3/b12-6+
InChIKey YNHCPXKQNMHUHM-WUXMJOGZSA-N
Mol Weight 406.43 g/mol
Molecular Formula C21H26O8
Exact Mass 406.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uDmMxUyQdU
Name METHYL-(E)-6-[5-(ACETOXYMETHYL)-7-HYDROXY-2,2-DIMETHYL-4-OXO-4H-BENZO-[D]-[1,3]-DIOXIN-8-YL]-4-METHYLHEX-4-ENOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O8
InChI InChI=1S/C21H26O8/c1-12(7-9-17(24)26-5)6-8-15-16(23)10-14(11-27-13(2)22)18-19(15)28-21(3,4)29-20(18)25/h6,10,23H,7-9,11H2,1-5H3/b12-6+
InChIKey YNHCPXKQNMHUHM-WUXMJOGZSA-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 406.433 g/mol
Solvent CDCl3
Source File Reference UWBT20327