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2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]isochromen-3-yl)acetic acid
SpectraBase Compound ID 1KeHk3ySFDq
InChI InChI=1S/C17H16O6/c1-17(2)14-10(6-8(23-17)7-12(19)20)15(21)9-4-3-5-11(18)13(9)16(14)22/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKey GCUPOWMMZVNEHL-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xkAN0SqVEo
Name 2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]isochromen-3-yl)acetic acid
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Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-17(2)14-10(6-8(23-17)7-12(19)20)15(21)9-4-3-5-11(18)13(9)16(14)22/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKey GCUPOWMMZVNEHL-UHFFFAOYSA-N
Molecular Weight 316.309 g/mol
SMILES Oc1c2c(C(C3=C(C(OC(CC(=O)O)C3)(C)C)C2=O)=O)ccc1
SPLASH splash10-0006-6193000000-e360b1a1c6c15c6664b8
Source of Spectrum SO-0-785-14
Synonyms 2-(9-hydroxy-1,1-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g][2]benzopyran-3-yl)acetic acid 2-(9-hydroxy-5,10-diketo-1,1-dimethyl-3,4-dihydrobenz[g]isochromen-3-yl)acetic acid 2-[1,1-dimethyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydrobenzo[g]isochromen-3-yl]ethanoic acid
Wiley ID 1545785