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2-Iminomalonyl-N(1), N(2)-bis[(4'-ethoxycarbonyl)phenyl]dianilide

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2-Iminomalonyl-N(1), N(2)-bis[(4'-ethoxycarbonyl)phenyl]dianilide
SpectraBase Compound ID 77IFsfY6czf
InChI InChI=1S/C21H21N3O6/c1-3-29-20(27)13-5-9-15(10-6-13)23-18(25)17(22)19(26)24-16-11-7-14(8-12-16)21(28)30-4-2/h5-12,22H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKey IXDLFWJPSFPCCA-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H21N3O6
Exact Mass 411.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YTyFo12ayY
Name 2-Iminomalonyl-N(1), N(2)-bis[(4'-ethoxycarbonyl)phenyl]dianilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.143035402 u
Formula C21H21N3O6
InChI InChI=1S/C21H21N3O6/c1-3-29-20(27)13-5-9-15(10-6-13)23-18(25)17(22)19(26)24-16-11-7-14(8-12-16)21(28)30-4-2/h5-12,22H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKey IXDLFWJPSFPCCA-UHFFFAOYSA-N
Molecular Weight 411.414 g/mol
SMILES C(C(NC1=CC=C(C(=O)OCC)C=C1)=O)(C(NC1=CC=C(C(=O)OCC)C=C1)=O)=N