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6-[(3-Butanoyl-5-methoxy-1,4-dioxo-1,4-dihydroxy-2-naphthyl)methyl]-2,2-dimethyl-4H-1,3-dioxin-4-one
SpectraBase Compound ID oEGRUWQKsA
InChI InChI=1S/C22H22O7/c1-5-7-15(23)18-14(10-12-11-17(24)29-22(2,3)28-12)20(25)13-8-6-9-16(27-4)19(13)21(18)26/h6,8-9,11H,5,7,10H2,1-4H3
InChIKey RVSVDJMUOPVSKF-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vMbaipG4qh
Name 6-[(3-Butanoyl-5-methoxy-1,4-dioxo-1,4-dihydroxy-2-naphthyl)methyl]-2,2-dimethyl-4H-1,3-dioxin-4-one
Alternate Name(s) 2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxy-3-(1-oxobutyl)naphthalene-1,4-dione 3-Butanoyl-2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxynaphthalene-1,4-dione 3-Butanoyl-2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxy-naphthalene-1,4-dione 3-Butanoyl-2-[(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)methyl]-5-methoxy-naphthalene-1,4-dione
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Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-5-7-15(23)18-14(10-12-11-17(24)29-22(2,3)28-12)20(25)13-8-6-9-16(27-4)19(13)21(18)26/h6,8-9,11H,5,7,10H2,1-4H3
InChIKey RVSVDJMUOPVSKF-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)c(OC)ccc2)CC1=CC(=O)OC(O1)(C)C)C(=O)CCC
SPLASH splash10-0a4j-0090000000-b39231b62a60962feb05
Source of Spectrum K-2001-3196-29
Wiley ID 1580077