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2-(4,9-Diketobenzo[F]benzofuran-2-yl)malonic acid diethyl ester
SpectraBase Compound ID GhWDaBt9Uwd
InChI InChI=1S/C19H16O7/c1-3-24-18(22)14(19(23)25-4-2)13-9-12-15(20)10-7-5-6-8-11(10)16(21)17(12)26-13/h5-9,14H,3-4H2,1-2H3
InChIKey PWSCPNLERNZVGS-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C19H16O7
Exact Mass 356.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlSwozGRMtK
Name 2-(4,9-Diketobenzo[F]benzofuran-2-yl)malonic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.089602848 u
Formula C19H16O7
InChI InChI=1S/C19H16O7/c1-3-24-18(22)14(19(23)25-4-2)13-9-12-15(20)10-7-5-6-8-11(10)16(21)17(12)26-13/h5-9,14H,3-4H2,1-2H3
InChIKey PWSCPNLERNZVGS-UHFFFAOYSA-N
Molecular Weight 356.330 g/mol
SMILES C12=C(OC(=C2)C(C(=O)OCC)C(=O)OCC)C(=O)C2=C(C1=O)C=CC=C2