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2-[2-(2-fluoro-4,5-dihydroxy-phenyl)-2-keto-ethyl]isoindoline-1,3-quinone
SpectraBase Compound ID L0qY6Wk2etz
InChI InChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKey IPHMODBWOSSMCE-UHFFFAOYSA-N
Mol Weight 315.26 g/mol
Molecular Formula C16H10FNO5
Exact Mass 315.054301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqYRiLevEID
Name 2-[2-(2-fluoro-4,5-dihydroxy-phenyl)-2-keto-ethyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[2-(2-fluoro-4,5-dihydroxy-phenyl)-2-oxo-ethyl]isoindoline-1,3-dione 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione 2-[2-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]isoindole-1,3-dione
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Formula C16H10FNO5
InChI InChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKey IPHMODBWOSSMCE-UHFFFAOYSA-N
Molecular Weight 315.256 g/mol
SMILES Oc1c(cc(c(c1)C(CN1C(c2ccccc2C1=O)=O)=O)F)O
SPLASH splash10-0a4i-4900000000-7c14468b1e6e46300c5f
Source of Spectrum KC-0-554-23
Wiley ID 821413