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METHYL-4-[((2E)-3,7-DIMETHYL-5-OXO-2,6-OCTADIENYL)-OXY]-3-METHOXYBENZOATE
SpectraBase Compound ID GOGnmtBIUnI
InChI InChI=1S/C18H22O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-7,9,11,20H,8,10H2,1-4H3/b13-7+
InChIKey VNWFJDXLLAGHFJ-NTUHNPAUSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIFvLwDn94q
Name METHYL-4-[((2E)-3,7-DIMETHYL-5-OXO-2,6-OCTADIENYL)-OXY]-3-METHOXYBENZOATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-12(2)9-15(19)10-13(3)7-8-23-17-6-5-14(11-16(17)20)18(21)22-4/h5-7,9,11,20H,8,10H2,1-4H3/b13-7+
InChIKey VNWFJDXLLAGHFJ-NTUHNPAUSA-N
Literature Reference Author N.B.PERRY,L.M.FOSTER,S.D.LORIMER,B.C.H.MAY,R.T.WEAVERS,M.TOY OTA,E.NAKAISHI,Y.ASA
Literature Reference Citation J.NAT.PROD.,59,729(1996)
Literature Reference DOI 10.1021/np9603378
Molecular Weight 318.370 g/mol
Solvent CDCl3
Source File Reference UWVP829