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2-[(2-hydroxy-3,4-diketo-cyclobuten-1-yl)methyl]isoindoline-1,3-quinone
SpectraBase Compound ID LvgFPwcbJ90
InChI InChI=1S/C13H7NO5/c15-9-8(10(16)11(9)17)5-14-12(18)6-3-1-2-4-7(6)13(14)19/h1-4,15H,5H2
InChIKey LFXIQJLPIKLHOY-UHFFFAOYSA-N
Mol Weight 257.2 g/mol
Molecular Formula C13H7NO5
Exact Mass 257.032422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl7z8xLYXTh
Name 2-[(2-hydroxy-3,4-diketo-cyclobuten-1-yl)methyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[(2-hydroxy-3,4-dioxo-1-cyclobutenyl)methyl]isoindole-1,3-dione 2-[(2-hydroxy-3,4-dioxo-cyclobuten-1-yl)methyl]isoindoline-1,3-dione 2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)methyl]isoindole-1,3-dione 2-[[2-oxidanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]methyl]isoindole-1,3-dione
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Formula C13H7NO5
InChI InChI=1S/C13H7NO5/c15-9-8(10(16)11(9)17)5-14-12(18)6-3-1-2-4-7(6)13(14)19/h1-4,15H,5H2
InChIKey LFXIQJLPIKLHOY-UHFFFAOYSA-N
Molecular Weight 257.201 g/mol
SMILES OC1=C(CN2C(c3ccccc3C2=O)=O)C(C1=O)=O
SPLASH splash10-0h6r-3910000000-859cb1fa62c8bee22c2d
Source of Spectrum J-60-1472-6
Wiley ID 1260677