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2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g][2]benzopyran-3-yl)acetic acid methyl ester
SpectraBase Compound ID 2ReuOD9NSJQ
InChI InChI=1S/C18H18O6/c1-18(2)15-11(7-9(24-18)8-13(20)23-3)16(21)10-5-4-6-12(19)14(10)17(15)22/h4-6,9,19H,7-8H2,1-3H3
InChIKey JEERXLZBNNBJIG-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjMfkaxi0XV
Name 2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g][2]benzopyran-3-yl)acetic acid methyl ester
Alternate Name(s) 2-(9-hydroxy-5,10-diketo-1,1-dimethyl-3,4-dihydrobenz[g]isochromen-3-yl)acetic acid methyl ester Methyl 2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]isochromen-3-yl)acetate Methyl 2-[1,1-dimethyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydrobenzo[g]isochromen-3-yl]ethanoate
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Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-18(2)15-11(7-9(24-18)8-13(20)23-3)16(21)10-5-4-6-12(19)14(10)17(15)22/h4-6,9,19H,7-8H2,1-3H3
InChIKey JEERXLZBNNBJIG-UHFFFAOYSA-N
Molecular Weight 330.336 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2ccc1)CC(OC3(C)C)CC(=O)OC)=O
SPLASH splash10-0aou-6193000000-125d675ef4c026e409f4
Source of Spectrum SO-0-785-13
Wiley ID 1545786