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2-[(5-nitro-2-furyl)methylene]-1H-indene-1,3(2H)-dione
SpectraBase Compound ID 3lfAclDt9ii
InChI InChI=1S/C14H7NO5/c16-13-9-3-1-2-4-10(9)14(17)11(13)7-8-5-6-12(20-8)15(18)19/h1-7H
InChIKey WGJMCYKEGRDHCY-UHFFFAOYSA-N
Mol Weight 269.21 g/mol
Molecular Formula C14H7NO5
Exact Mass 269.032422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BofIHel2zI
Name Indane-1,3-dione, 2-(5-nitro-2-furfurylideno)-
Comments Computed using HOSE algorithm
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Exact Mass 269.032422324 u
Formula C14H7NO5
InChI InChI=1S/C14H7NO5/c16-13-9-3-1-2-4-10(9)14(17)11(13)7-8-5-6-12(20-8)15(18)19/h1-7H
InChIKey WGJMCYKEGRDHCY-UHFFFAOYSA-N
SMILES C1(C(C2=CC=CC=C2C1=O)=O)=CC=1OC(N(=O)=O)=CC1