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4-(Benzo[1,3]dioxol-5-carbonyl)-3-[hydroxy(3',4',5'-trimethoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one
SpectraBase Compound ID 9oOy0PxiDYS
InChI InChI=1S/C22H22O9/c1-26-16-7-12(8-17(27-2)21(16)28-3)20(24)18-13(9-29-22(18)25)19(23)11-4-5-14-15(6-11)31-10-30-14/h4-8,13,18,20,24H,9-10H2,1-3H3
InChIKey NQVAYIXDJLHKJI-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C22H22O9
Exact Mass 430.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QXN53hs5EK
Name 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[hydroxy(3',4',5'-trimethoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one
Alternate Name(s) 4-(4,5-Methylenedioxybenzoyl)-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one 4-(1,3-benzodioxol-5-ylcarbonyl)-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]dihydro-2(3H)-furanone
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Formula C22H22O9
InChI InChI=1S/C22H22O9/c1-26-16-7-12(8-17(27-2)21(16)28-3)20(24)18-13(9-29-22(18)25)19(23)11-4-5-14-15(6-11)31-10-30-14/h4-8,13,18,20,24H,9-10H2,1-3H3
InChIKey NQVAYIXDJLHKJI-UHFFFAOYSA-N
Molecular Weight 430.409 g/mol
SMILES OC(c1cc(OC)c(c(c1)OC)OC)C1C(C(c2cc3OCOc3cc2)=O)COC1=O
SPLASH splash10-000t-0900300000-b937dcc6022a4136f207
Source of Spectrum F-47-4680-15
Wiley ID 1381461