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(3,4-Methylenedioxy-7-oxo-1'-allyl-3',5'-dimethoxy)-[8.0.4']-Neolignan
SpectraBase Compound ID KxHLbWlHnkP
InChI InChI=1S/C21H22O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13H,1,6,12H2,2-4H3
InChIKey LQRBTWQJHFMZFE-UHFFFAOYSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cJqjZQhs0
Name (3,4-Methylenedioxy-7-oxo-1'-allyl-3',5'-dimethoxy)-[8.0.4']-Neolignan
Alternate Name(s) 1-(1,3-benzodioxol-5-yl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-propanone 1-(1,3-benzodioxol-5-yl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propan-1-one 1-(1,3-benzodioxol-5-yl)-2-(2,6-dimethoxy-4-prop-2-enyl-phenoxy)propan-1-one
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Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13H,1,6,12H2,2-4H3
InChIKey LQRBTWQJHFMZFE-UHFFFAOYSA-N
Molecular Weight 370.401 g/mol
SMILES c1(OC(C(c2cc3OCOc3cc2)=O)C)c(cc(cc1OC)CC=C)OC
SPLASH splash10-00kg-9400000000-745dd882205666183baf
Source of Spectrum G4-54-158-4
Wiley ID 1702042