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3-(5-Acetyl-2,4-dihydroxy-phenyl)-3H-isobenzofuran-1-one
SpectraBase Compound ID KDCiAFYhftv
InChI InChI=1S/C16H12O5/c1-8(17)11-6-12(14(19)7-13(11)18)15-9-4-2-3-5-10(9)16(20)21-15/h2-7,15,18-19H,1H3
InChIKey JARRAHSMRNISAM-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C16H12O5
Exact Mass 284.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvwd2odSYN3
Name 3-(5-Acetyl-2,4-dihydroxy-phenyl)-3H-isobenzofuran-1-one
Alternate Name(s) 3-(5-acetyl-2,4-dihydroxy-phenyl)phthalide 3-(5-Acetyl-2,4-dihydroxyphenyl)-2-benzofuran-1(3H)-one 3-(5-acetyl-2,4-dihydroxyphenyl)-3H-2-benzofuran-1-one 3-[5-ethanoyl-2,4-bis(oxidanyl)phenyl]-3H-2-benzofuran-1-one
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Formula C16H12O5
InChI InChI=1S/C16H12O5/c1-8(17)11-6-12(14(19)7-13(11)18)15-9-4-2-3-5-10(9)16(20)21-15/h2-7,15,18-19H,1H3
InChIKey JARRAHSMRNISAM-UHFFFAOYSA-N
Molecular Weight 284.267 g/mol
SMILES Oc1cc(c(cc1C1OC(=O)c2c1cccc2)C(=O)C)O
SPLASH splash10-000l-8690000000-3f520f094768d3620516
Wiley ID 1511438