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4,5,7-Trihydroxyphthalide
SpectraBase Compound ID KLL0hYJEVsR
InChI InChI=1S/C8H6O5/c9-4-1-5(10)7(11)3-2-13-8(12)6(3)4/h1,9-11H,2H2
InChIKey FVZUIRKJNXDBQQ-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C8H6O5
Exact Mass 182.021523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JktRyijk6VS
Name 4,5,7-Trihydroxyphthalide
Alternate Name(s) 4,5,7-trihydroxy-3H-2-benzofuran-1-one 4,5,7-trihydroxy-3H-isobenzofuran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C8H6O5
InChI InChI=1S/C8H6O5/c9-4-1-5(10)7(11)3-2-13-8(12)6(3)4/h1,9-11H,2H2
InChIKey FVZUIRKJNXDBQQ-UHFFFAOYSA-N
Molecular Weight 182.131 g/mol
SMILES Oc1c2c(c(c(c1)O)O)COC2=O
SPLASH splash10-0019-0900000000-3a3a4488ef4a22e66707
Source of Spectrum KC-1988-760-16
Wiley ID 1178016