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2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyloct-5-enyl]-3H-dioxin-3-yl]acetic acid
SpectraBase Compound ID JV1qrmfh23W
InChI InChI=1S/C21H36O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,22,23)/b11-10+
InChIKey LXNOXMXZWPALFI-ZHACJKMWSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsCKNOIH9gA
Name 2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyloct-5-enyl]-3H-dioxin-3-yl]acetic acid
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,22,23)/b11-10+
InChIKey LXNOXMXZWPALFI-ZHACJKMWSA-N
Literature Reference Author S.P.GUNASEKERA,M.GUNASEKERA,G.P.GUNAWARDANA,P.MCCARTHY,N.BUR RES
Literature Reference Citation J.NAT.PROD.,53,669(1990)
Literature Reference DOI 10.1021/np50069a021
Molecular Weight 352.514 g/mol
Solvent CDCl3
Source File Reference UWRU259