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Terephthalanilide, 4',4''-dinitro-
SpectraBase Compound ID CTqr6Oel3sj
InChI InChI=1S/C20H14N4O6/c25-19(21-15-5-9-17(10-6-15)23(27)28)13-1-2-14(4-3-13)20(26)22-16-7-11-18(12-8-16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey LYTXPHIIIZQKMO-UHFFFAOYSA-N
Mol Weight 406.35 g/mol
Molecular Formula C20H14N4O6
Exact Mass 406.091334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 745zYBGJc1Z
Name Terephthalanilide, 4',4''-dinitro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.091334181 u
Formula C20H14N4O6
InChI InChI=1S/C20H14N4O6/c25-19(21-15-5-9-17(10-6-15)23(27)28)13-1-2-14(4-3-13)20(26)22-16-7-11-18(12-8-16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey LYTXPHIIIZQKMO-UHFFFAOYSA-N
Molecular Weight 406.354 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)NC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=C(N(=O)=O)C=C1