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Terephthalanilide, 2',2''-dinitro-

View entire compound with spectra: 1 NMR

Terephthalanilide, 2',2''-dinitro-
SpectraBase Compound ID 9ciYGSjIliU
InChI InChI=1S/C20H14N4O6/c25-19(21-15-5-1-3-7-17(15)23(27)28)13-9-11-14(12-10-13)20(26)22-16-6-2-4-8-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey PPRRBSHUCDIFPZ-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 CNWJY01vlh5
Name Terephthalanilide, 2',2''-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(21-15-5-1-3-7-17(15)23(27)28)13-9-11-14(12-10-13)20(26)22-16-6-2-4-8-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey PPRRBSHUCDIFPZ-UHFFFAOYSA-N
Molecular Weight 406.354 g/mol
SMILES C1=CC=CC(=C1NC(=O)C1=CC=C(C=C1)C(=O)NC1=C(C=CC=C1)N(=O)=O)N(=O)=O