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Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[.alpha.-oxo-, diethyl ester
SpectraBase Compound ID JZxnsE4mZZb
InChI InChI=1S/C22H20N2O8/c1-3-31-21(29)17(25)13-9-5-7-11-15(13)23-19(27)20(28)24-16-12-8-6-10-14(16)18(26)22(30)32-4-2/h5-12H,3-4H2,1-2H3,(H,23,27)(H,24,28)
InChIKey KWIQKQDHKRJRRL-UHFFFAOYSA-N
Mol Weight 440.41 g/mol
Molecular Formula C22H20N2O8
Exact Mass 440.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaaiatzoKpm
Name Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[.alpha.-oxo-, diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.121965604 u
Formula C22H20N2O8
InChI InChI=1S/C22H20N2O8/c1-3-31-21(29)17(25)13-9-5-7-11-15(13)23-19(27)20(28)24-16-12-8-6-10-14(16)18(26)22(30)32-4-2/h5-12H,3-4H2,1-2H3,(H,23,27)(H,24,28)
InChIKey KWIQKQDHKRJRRL-UHFFFAOYSA-N
Molecular Weight 440.408 g/mol
SMILES C(C(NC=1C(C(C(=O)OCC)=O)=CC=CC1)=O)(NC=1C(C(C(=O)OCC)=O)=CC=CC1)=O